SCHEMBL686986

SCHEMBL686986

CCN(CC)c1cccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)cn(Cc3ccccc3Cl)c2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGER3 P43115 12/20 0.39
CNR2 P34972 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
CYP1A2 P05177 1/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTSA P10619 1/20 0.35
CYP26A1 O43174 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL688442 0.90 PTGER3 (0.42) PTGER3CNR2SLC22A12CYP1A2MAPT
SCHEMBL687045 0.89 PTGER3 (0.42) PTGER3CNR2SLC22A12CYP1A2MAPT
SCHEMBL688053 0.89 PTGER3 (0.43) PTGER3CNR2SLC22A12MAPTCTSA
SCHEMBL687744 0.87 PTGER3 (0.43) PTGER3CNR2SLC22A12CYP1A2MAPT
SCHEMBL687796 0.87 CTSA (0.46) MEN1KMT2APTGER3CNR2SLC22A12
SCHEMBL686799 0.87 PTGER3 (0.51) PTGER3CNR2SLC22A12MAPTCTSA
SCHEMBL688170 0.86 PTGER3 (0.41) PTGER3CNR2SLC22A12MAPTCYP26A1
SCHEMBL688379 0.86 PTGER3 (0.42) PTGER3CNR2SLC22A12CTSACYP26A1
SCHEMBL687712 0.86 PTGER3 (0.43) KMT2APTGER3CNR2SLC22A12MAPT
SCHEMBL687873 0.86 PTGER3 (0.42) PTGER3CNR2SLC22A12MAPT

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 15 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 claimed
EP-1567505-A4 COMBINATION PRODUCTS WITH CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS AND OTHER THERAPEUTIC COMPOUNDS SCHERING CORP (US) 2009-07-01 EP claimed
US-20070060608-A1 Combination products with carboxylic acid derivatives that inhibit the binding of integrins to their receptors and other therapeutic compounds ENCYSIVE PHARMACEUTICALS INC. (US) 2007-03-15 US claimed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US claimed
EP-1567505-A2 COMBINATION PRODUCTS WITH CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS AND OTHER THERAPEUTIC COMPOUNDS ENCYSIVE PHARMACEUTICALS INC. (US) 2005-08-31 EP claimed
WO-2004044046-A2 COMBINATION PRODUCTS WITH CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS AND OTHER THERAPEUTIC COMPOUNDS ENCYSIVE PHARMACEUTICALS (US) 2004-05-27 WO 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-20070060608-A1 Combination products with carboxylic acid derivatives that inhibit the binding of integrins to their receptors and other therapeutic compounds ENCYSIVE PHARMACEUTICALS INC. (US) 2007-03-15 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 (3 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 MEN1 3955/4885GFER 1359/4885KMT2A 3959/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 MEN1 3985/4885GFER 856/4885KMT2A 3998/4885
US-20070060608-A1 Combination products with carboxylic acid derivatives that inhibit the binding of integrins to their receptors and other therapeutic compounds VCAM1, ITGB1, ICAM1 MEN1 2959/4885GFER 3280/4885KMT2A 2439/4885

“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.