SCHEMBL686657

SCHEMBL686657

CCOc1cccc(Cl)c1Cn1cc(C2CC2)c(O)c(NC(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 8/20 0.37
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR1 O14842 3/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL27741953 0.93 SMN1; SMN2 (0.34) CTSAKDM4EALDH1A1SMN1; SMN2FFAR1
SCHEMBL27762466 0.90 SMN1; SMN2 (0.35) CTSAKDM4EALDH1A1SMN1; SMN2FFAR1
SCHEMBL687715 0.90 CTSA (0.39) CTSAKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL687801 0.89 FFAR1 (0.35) KDM4EALDH1A1SMN1; SMN2FFAR1
SCHEMBL687713 0.87 CTSA (0.37) CTSAKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL687778 0.85 CNR2 (0.43) CTSAKDM4EALDH1A1MAPK1NPSR1
SCHEMBL688172 0.85 MAPT (0.41) CTSAKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL688286 0.84 SMN1; SMN2 (0.39) CTSAKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL688429 0.84 GUCY1B2 (0.41) CTSAKDM4EALDH1A1SMN1; SMN2FFAR1
SCHEMBL13120932 0.83 MAPT (0.38) KDM4EALDH1A1SMN1; SMN2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US claimed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US claimed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP claimed
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 CTSA 686/4885KDM4E 2631/4885ALDH1A1 53/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 CTSA 471/4885KDM4E 3292/4885ALDH1A1 57/4885

“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.