SCHEMBL687209

SCHEMBL687209

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2cnc(C)n(Cc3ccccc3)c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CTSA P10619 9/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP26A1 O43174 2/20 0.39
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
EGLN1 Q9GZT9 2/20 0.38
KIF11 P52732 1/20 0.38

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
SCHEMBL688153 0.90 PTGER3 (0.45) CYP2C19CYP3A4CYP2D6CTSAKDM4E
SCHEMBL27587414 0.82 CASP1 (0.39) MEN1KMT2A
SCHEMBL27587416 0.82 CASP1 (0.39) MEN1KMT2A
SCHEMBL687697 0.80 CTSA (0.40) CYP2C19CYP3A4CYP2D6CTSAKDM4E
SCHEMBL687420 0.80 CTSA (0.42) CYP2C19CYP3A4CYP2D6CTSAMEN1
SCHEMBL686970 0.78 CTSA (0.42) CTSAKDM4EALDH1A1CYP26A1KEAP1
SCHEMBL687355 0.76 CTSA (0.40) CTSACYP26A1KEAP1NFE2L2
SCHEMBL687794 0.75 MEN1 (0.45) CYP2C19CTSAKDM4EMEN1ALDH1A1
SCHEMBL687934 0.75 KMT2A (0.47) CYP2C19CYP3A4CYP2D6CTSAKDM4E
SCHEMBL688110 0.74 MEN1 (0.49) CYP2C19CTSAKDM4EMEN1ALDH1A1

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 8 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
EP-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 EP 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
WO-2000067746-A9 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2002-08-29 WO 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 CYP2C19 2494/4885CYP3A4 1694/4885CYP2D6 3905/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 CYP2C19 3050/4885CYP3A4 2379/4885CYP2D6 3776/4885

“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.