SCHEMBL686806

SCHEMBL686806

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(Cl)cn(Cc3ccccc3Cl)c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 9/20 0.45
CTSA P10619 6/20 0.42
CNR2 P34972 1/20 0.41
MAPT P10636 1/20 0.39
P2RY14 Q15391 1/20 0.37

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
SCHEMBL686896 0.94 PTGER3 (0.44) PTGER3CTSACNR2P2RY14
SCHEMBL29371834 0.94 PTGER3 (0.44) PTGER3CTSACNR2P2RY14
SCHEMBL686663 0.93 PTGER3 (0.44) PTGER3CTSACNR2MAPTP2RY14
SCHEMBL688458 0.92 PTGER3 (0.43) PTGER3CTSACNR2MAPT
SCHEMBL687127 0.91 PTGER3 (0.42) PTGER3CTSACNR2MAPTP2RY14
SCHEMBL6837444 0.90 PTGER3 (0.42) PTGER3CNR2MAPT
SCHEMBL688643 0.89 PTGER3 (0.41) PTGER3CTSACNR2MAPT
SCHEMBL687778 0.89 CNR2 (0.43) PTGER3CTSACNR2
SCHEMBL688053 0.89 PTGER3 (0.43) PTGER3CTSACNR2MAPT
SCHEMBL688399 0.89 PTGER3 (0.40) PTGER3CTSACNR2MAPTP2RY14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP 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 (2 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 PTGER3 2942/4885CTSA 686/4885CNR2 2011/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 PTGER3 2649/4885CTSA 471/4885CNR2 1897/4885

“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.