SCHEMBL687527

SCHEMBL687527

COc1cccc(OC)c1-c1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)cn(Cc3ccccc3Cl)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.42
ITGA4 P13612 3/20 0.42
PTGER3 P43115 6/20 0.42
CTSA P10619 6/20 0.39
MAPT P10636 1/20 0.37
P2RX7 Q99572 2/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL688669 0.93 PTGER3 (0.42) ITGB1ITGA4PTGER3CTSAMAPT
SCHEMBL687791 0.90 PTGER3 (0.43) PTGER3CTSACNR2THRB
SCHEMBL687923 0.90 PTGER3 (0.41) ITGB1ITGA4PTGER3CTSACNR2
SCHEMBL686842 0.89 PTGER3 (0.45) ITGB1ITGA4PTGER3CTSAMAPT
SCHEMBL688233 0.89 PTGER3 (0.43) PTGER3CTSAMAPTP2RX7CNR2
SCHEMBL688343 0.89 PTGER3 (0.43) PTGER3CTSAMAPTP2RX7CNR2
SCHEMBL688053 0.88 PTGER3 (0.43) PTGER3CTSAMAPTCNR2TP53
SCHEMBL687624 0.88 PTGER3 (0.42) PTGER3CTSAMAPTP2RX7CNR2
SCHEMBL688215 0.88 PTGER3 (0.43) ITGB1ITGA4PTGER3CTSAMAPT
SCHEMBL686896 0.87 PTGER3 (0.44) PTGER3CTSACNR2

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 ITGB1 5/4885ITGA4 10/4885PTGER3 2942/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ITGB1 7/4885ITGA4 21/4885PTGER3 2649/4885

“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.