Transcript Slide 1

227th ACS National Meeting
Anaheim, CA
28 March 2004
MMS
Merged Markush Service
The Questel•Orbit Alternative
for Chemical Information
Elliott Linder, Questel•Orbit
Joe Terlizzi, Questel•Orbit
1
Scenario
Hypothetical Pharm X has developed a
compound with the structure below, which
they are finding to be a useful contraceptive in
animal tests. Should they try to patent or
commercialize this compound and/or its use?
N
N
O
N
N
S
O
O
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Scenario
• What does Pharm X need to know?
• Has the compound been documented or
patented, i.e., is the compound really new?
• Is its intended use new?
• If the compound and/or its use have been
patented, what is the status of the patent or
patents?
3
Search
Pharm X searchers will want to check the standard
chemical structure databases on key vendor systems:
• CAS Registry for exact structure
• MARPAT for open substitution on benzene rings or
amino group
• Beilstein
N
N
O
N
N
S
O
O
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Search
• With patentability and potential infringement
at stake, Pharm X also decides to extend
their structure search to MMS, the Merged
Markush Service from Questel·Orbit.
• But what is MMS?
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MMS Coverage and Structure
• Four segments
• Front File (FRONTF) –from
Derwent week 9816
• WPIM – 1987-1998
• MPHARM – 1987-1999
• Backfile (BACKF) – 1978-1987
(FR back to 1961)
• The user can choose which
segment(s) to search
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FRONTF
MPHARM WPIM
BACKF
MMS Coverage and Structure
• Updating MMS
• Front File (Derwent) updated
weekly
• Back File now goes back to 1978
• No additional updates of MPHARM
from year 2000
FRONTF
MPHARM WPIM
BACKF
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Link to bibliographic files
N
G1
N
Markush query
CN 2
R1
R1
O
R2O
R3
CN link
R1
CN 1
R2
CN 4
CN = Compound Number
S
R1
N
R2
CN 3
CN link
MMS structure file
AN 1
CN 3-----------PN---------------
AN 1
CN 1-------------PN-----------------
Patent retrieval
WPIL biblio file
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PHARM biblio file
Link to bibliographic files
FRONTF
CN YYWW-CCCSS
WPIL
WPIM
CN YYMMXXXX-NN
MPHARM
2 CN formats
PHARM
BACKF
BIBLIOGRAPHIC FILES
MMS STRUCTURE FILE
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MMS Search
Structure Searching Steps:
1. Open Imagination or STN Express.
2. Draw query using Query Text (QT) or import
3.
4.
5.
6.
structure from Derwent’s Markush Topfrag.
Verify and exit query input.
REtrieve candidates. Candidates contain
fragments of the queried structure.
Run an Atom-by-Atom search on RE
candidates.
Cross to Questel·Orbit bibliographic system.
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Verifying MMS Structure
using Imagination
Steps 2 & 3
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MMS Search
Step 4
RE search is conducted
first. There are over 35,000
candidates containing
structural fragments of the
original query.
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MMS Search
Step 5
When AA search is
conducted, one
answer is found.
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Search
Step 6
Compound number is transferred to the PHARM
database. PHARM record is as follows:
Indicates known structure; further investigation required
AN - 83115153
CN - ***83115153-01-K***; ***83115153-01-T***; ***83115153-01U***
PN - US4415585 - 19831115 [US4415585]
AP - US35716082 19820311 [1982US-0357160]
PA - UNIVERSITY OF ILLINOIS FOUNDATION /Urbana/IL (US)
IN - JOYCE CATHY L (US)
- ZANEVELD LOURENS J (US)
IC1 - A61K-031/53
IC2 - A61K-031/415
ET - Contraceptive method.
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Search
Pharm record –cont’d
EAB - Use of pyrazolone derivatives of formula (I) wherein A is H, halo,
trihalomethyl, lower C1-8 alkyl, -X-OH, -X-CO-R, -X-CO-OR, -X-SO-D,
-X-S-D or -NR1R2; X is a lower (C1-C8) alkylene group; R, R1, and R2 are
hydrogen, or the same or different lower alkyl groups, and B, C, and D, which
can be the same or different, are phenyl, hydroxyphenyl or lower alkylphenyl,
further provided that B and C together can form a chain of formula (II), as
contraceptive agents.
- The contraceptive method comprises maintaining in the genital tract of a female
mammal a pyrazolone derivative in a concentration effective to inhibit the
fertilization of ova. In addition to effectively, inhibiting the enzymes or other
sperm components necessary for conception, the compounds used in the method
of the invention are advantageous in having low toxic, caustic or irritating
properties, so that the contraceptive compositions are suitable for long-term use
without adverse side-effects.
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Analysis
• The compound number 83115153-01, reveals that the
answer is a Markush structure indexed by INPI in
1983.
• The BACKF, produced by INPI, dates back to 1978 for
US patents. This structure will not be found in Marpat
since it only goes back to 1988.
• The generic structure cannot be searched in Registry.
MMS contains both specific and generic structures.
N
N
O
N
N
S
O
O
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Analysis
• The PHARM record reveals that the retrieved
•
•
patent contains many possible structures, and
contains a variation of our structure, with a
methyl group substituted on the fused benzene
ring.
The patent assignee is the University of Illinois
Foundation, and the patent was published in
1983. The compound was also used as a
contraceptive.
Therefore, an infringement is possible.
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Analysis
Some things we will need to check are:
• Are there any family members, meaning
has the patent been applied for and/or
granted in any other countries?
• What is the status of these patents, i.e., are
they still valid or have they expired or
lapsed?
• Are there cited references that reveal any
additional prior art about this compound?
• Are there patents citing this patent that give
us more information about this compound?
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Analysis
• These points are easy to check using the
PlusPat database on Questel•Orbit.
• Using the MEM and *MEM commands, the Standardized
Patent Number [XPN] is extracted and searched in
PlusPat. (Standardization of the all publication,
application, and priority numbers on Questel•Orbit
simplifies cross-file searching.)
• The FAM command is executed on the publication
number, and the FAMSTAT command is used to display
the family members and their LEGAL STATUS.
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Analysis
1/1 PlusPat - (C) QUESTEL-ORBIT- image
CPIM
PN - US4415585 A 19831115 [US4415585]
.
.
FAMSTAT format. (PlusPat record
edited for brevity.)
1/1 LGST - (C) EPO
PN - US4415585 A 19831115 [US4415585]
AP - US35716082 19820311 [1982US-0357160]
ACT - 19820607 US/AS02-A
ASSIGNMENT OF ASSIGNOR'S INTEREST
OWNER: UNIVERSITY OF ILLINOIS FOUNDATION, A CORP. OF ILL.; EFFECTIVE DATE:
19820310
- 19820607 US/AS02-A
ASSIGNMENT OF ASSIGNOR'S INTEREST
OWNER: JOYCE, CATHY L.; EFFECTIVE DATE: 19820310
- 19820607 US/AS02-A
ASSIGNMENT OF ASSIGNOR'S INTEREST
OWNER: ZANEVELD, LOURENS J. D.; EFFECTIVE DATE: 19820310
- 19920128 US/FP-A [-]
EXPIRED DUE TO FAILURE TO PAY MAINTENANCE FEE
EFFECTIVE DATE: 19911117
UP - 2003-22
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Analysis
• The PlusPat record reveals that there are no
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•
other family members, and the LGST record
that the patent expired in 1991 due to a failure
to pay the maintenance fee.
A citation analysis can be conducted on
Questel•Orbit using the FAM command and
FAMCITE display, that contains:
• All patent families citing the source patent family
• All patents families cited in the source patent family
The citation analysis can be helpful in finding
additional prior art.
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Conclusions
• In this hypothetical scenario, Pharm X has
•
•
a potential opportunity due to the
expiration of the patent retrieved.
In general, no single resource is
sufficiently comprehensive on its own.
As many resources as possible should be
searched for prior art and infringement.
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