Transcript CDD Slides for Open Source Science Oct 2011

A Web-Based Collaborative Drug Discovery Platform
Barry Bunin, Ph.D.
CEO and President
Collaborative Drug Discovery, Burlingame, CA.
www.collaborativedrug.com
[email protected]
© 2009 Collaborative Drug Discovery, Inc.
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Collaborative
Discovery
© 2009 Collaborative Drug Discovery, Inc.
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© 2009 Collaborative Drug Discovery, Inc.
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Knowledge-Based Drug Discovery
Public and proprietary data sources
Chemistry
Actual
Libraries
Virtual
Libraries
SAR
QSAR Models
Knowledge
Base
Other Models
Email results
Selection / Optimization
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CDD History
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CDD for Private, Collaborative, & Public Research
• Users: 21,197 unique logins last year (scalable in the cloud)
• Interoperability/Standards: csv/SMILES, sdfiles, PubMed,
ChemSpider-Pubchem, REST Based Architecture for APIs
• Employing technology to facilitate partnerships: both pre- and
post-IP agreements supported
• Expanding the precompetitive space: the key is supporting
traditional (IP sensitive), collaborative (pre-IP), and open (post-IP) –
all these are real use cases
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Collaborative
Discovery
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CDD Vault for Your Own Private Data
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Collaborative
Discovery
Data Partitioning for Multiple Collaborations
Collaborator 1
ec
Pr
oj
Company A
A
j e ct
Pro
tB
Consolidated
CDD DB
Collaborator 2
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Pr
oj
ec
tC
Proj
e ct D
Collaborator 3
Collaborator 4
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Collaborative
Discovery
Collaborative Capabilities for
Efficient International Drug Discovery
Individual Pain Points
Organizational Need
Technical Solution
Keep scientist’s data
private until ready to
share (i.e. with the rest of
their groups)
Collaboration is as much
about more efficient work
within a single
organization as between
organizations.
Temporal data access
controls
Allow scientists to
partition or sequester data
to enable selective data
sharing
Control of chemical or
biological data access
based on Project-specific
permissions
Spatial data partitioning
Allow collaboration in
scientist’s natural
workflow (i.e. without
uploading data multiple
times in multiple places)
Control based on type of
data – especially given a
marketplace with
specialization in
synthesis, screening,
discovery, development
Sequester by data
classification
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Collaborative
Discovery
Back Pocket
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User Roles and Privileges in CDD
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CDD Convenient Mining & Export Options
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CDD Configurable IC50 Dose Response Capabilities
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Data Mining
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Secure and Low TCO (Total Cost of Ownership)
CDD database system
• Web based (log in securely into to your database from any
computer).
• We host the server for you
• Highly secure, all traffic encrypted, server in a secure
professionally hosted environment.
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Collaborative
Discovery
CDD Drug Repurposing 2009 Case Study #1
Result
New leads reveal known
drugs that reverse
chloroquine resistance
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CDD BMGF TB PPP: Case Study #2
 3 Academia/ Govt lab – Industry screening partnerships
 CDD used for data sharing / collaboration
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CDD 2011 EU PPP Case Study #3
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Why CDD?
•
Network
– Traction: thousands of leading researchers log into CDD today:
– Academic customers: Harvard, Columbia, Johns Hopkins, UCSF (new assays)
– Pharmas relationships: Pfizer, GSK, Novartis, Lilly (commercial partners)
– Startups
– Research institutes, Non profits NIH, BMGF, MM4TB etc
•
Neutral
– Trusted for >7 years in the cloud
– Moral high-ground due to years dedicated to neglected disease (TB w/ Gates Foundation)
– Credible position
•
IP
– CDD handles data corresponding to composition of matter & utility patents
– Templates for rapid web-based transactions (IP corresponding to data)
– CDD does not own IP
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Collaboration is everywhere
Major collaborative grants in EU: Framework, IMI …NIH moving in same direction
Cross continent collaboration CROs in China, India etc –
Pharma’s in US / Europe
More industry – academia collaboration ‘not invented here’ a thing of the past
More effort to go after rare and neglected diseases -Globalization and connectivity of
scientists will be key –
Current pace of change in pharma may not be enough.
Need to rethink how we use all technologies & resources…
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Models and software becoming more accessible- free, precompetitive efforts collaboration
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Drug Toxicity Alerts
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What if you could…
1. Spend only 20% on descriptors and algorithms
2. Selectively share your models with collaborators and control access
3. Have someone else host the models / predictions
Current investments
>$1M/yr
>$10-100’s M/yr
Inside company
Collaborators
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Collaborative
Discovery
Yes we can…predictions now
can be shared without revealing structures!
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CDD SBIR to Selectively Share Predictive
Models Across Industry and Academia
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The benefit to Big Pharma
The ability to profile any external drug candidates where others have invested
substantial resource, with little to no work from Big Pharma using ADME/Tox models,
to pick and choose and prioritize the most interesting projects for in licensing.
P.S. NIH could fund the automation, streamlining, and scaling the approach once
proven successful (and Big Pharma would benefit without having the cost of
development).
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CDD support of international collaborations
•
•
•
•
Capabilities to selectively collaborate from an “IP-neutral” party
Selective sharing and data partitioning are needed.
Web2.0 informatics collaborative “processes” matter.
The infrastructure capabilities determine what is possible and
practical.
• CDD capabilities support diverse PDP and PPPs.
– Proven in more effective collaborations
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Collaborative
Discovery
Summary
• What is implemented in software guides common business
rules and creates efficiencies.
• CDD has lowered the barriers to archive and collaborate –
instead of frustration after deciding what “makes sense”,
collaboration occurs naturally and instantaneously.
• Collaborative informatics provides cohesiveness when scaling
collaborative efforts.
• Unique collaborative technologies allow groups with diverse
IP/data requirements to work together, as if one.
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Collaborative
Discovery
Take Home
“CDD makes the distinction between pre-competitive,
competitive, and non-competitive drug discovery...irrelevant.”
Barry Bunin, Ph.D.
CEO and President
Collaborative Drug Discovery, Burlingame, CA.
www.collaborativedrug.com
[email protected]
© 2009 Collaborative Drug Discovery, Inc.
Archive,
Mine, Drug
Collaborate
Copyright © 2011 All Rights Reserved
Collaborative
Discovery