SCHEMBL8091309

SCHEMBL8091309

COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
PPARG P37231 1/20 0.56
PPARA Q07869 1/20 0.56
KMT2A Q03164 2/20 0.54
ATM Q13315 1/20 0.54
ACE P12821 2/20 0.52
MMP1 P03956 1/20 0.50
FPR2 P25090 1/20 0.50
ITGA4 P13612 1/20 0.50
ITGB7 P26010 1/20 0.50
REN P00797 3/20 0.49
PTPN1 P18031 2/20 0.49
CTSS P25774 3/20 0.49
CTSK P43235 3/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16124030 1.00 ITGB3 (0.57) ITGB3ITGA2BPPARGPPARAKMT2A
SCHEMBL12062761 1.00 ITGB3 (0.57) ITGB3ITGA2BPPARGPPARAKMT2A
SCHEMBL16228288 1.00 ITGB3 (0.57) ITGB3ITGA2BPPARGPPARAKMT2A
SCHEMBL16228734 1.00 ITGB3 (0.57) ITGB3ITGA2BPPARGPPARAKMT2A
SCHEMBL16228287 1.00 ITGB3 (0.57) ITGB3ITGA2BPPARGPPARAKMT2A
SCHEMBL16463914 0.91 KLK5 (0.53) ITGB3ITGA2BPPARGPPARAMMP1
SCHEMBL16463916 0.91 KLK5 (0.53) ITGB3ITGA2BPPARGPPARAMMP1
SCHEMBL335309 0.90 ITGB3 (0.67) ITGB3ITGA2BPPARGPPARAKMT2A
SCHEMBL335310 0.90 ITGB3 (0.67) ITGB3ITGA2BPPARGPPARAKMT2A
SCHEMBL1308867 0.90 ITGB3 (0.67) ITGB3ITGA2BPPARGPPARAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657058-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2017-05-23 US disclosed
US-20150353601-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS INC (US) 2015-12-10 US disclosed
US-8765745-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2014-07-01 US disclosed
US-8735441-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-20140080753-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2014-03-20 US disclosed
US-8431571-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-8080576-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2011-12-20 US disclosed
US-8080545-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2011-12-20 US disclosed
US-20100144649-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2010-06-10 US disclosed
US-20100144648-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2010-06-10 US disclosed
US-7691852-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2010-04-06 US disclosed
US-20070293465-A1 Compounds for enzyme inhibition PROTEOLIX, INC. (US) 2007-12-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150353601-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 ITGB3 4755/4885ITGA2B 4671/4885PPARG 4475/4885
US-20140080753-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 ITGB3 4755/4885ITGA2B 4671/4885PPARG 4475/4885
US-20070293465-A1 Compounds for enzyme inhibition PSME1, PSMB1, PSME3 ITGB3 4755/4885ITGA2B 4671/4885PPARG 4475/4885
US-20100144648-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 ITGB3 4755/4885ITGA2B 4671/4885PPARG 4475/4885
US-20100144649-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 ITGB3 4755/4885ITGA2B 4671/4885PPARG 4475/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.