SCHEMBL687518

SCHEMBL687518

O=C(O)C[C@H](NC(=O)Nc1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O)c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
MAPT P10636 2/20 0.46
PTGER3 P43115 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
ITGB1 P05556 7/20 0.42
ITGA4 P13612 7/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL27587415 1.00 LMNA (0.46) LMNAMAPTPTGER3TP53SMN1; SMN2
SCHEMBL687933 0.92 PTGER3 (0.53) LMNAMAPTPTGER3SMN1; SMN2CYP1A2
SCHEMBL695420 0.92 MAPT (0.54) LMNAMAPTPTGER3TP53SMN1; SMN2
SCHEMBL687571 0.91 ALDH1A1 (0.50) LMNAMAPTPTGER3TP53SMN1; SMN2
SCHEMBL688325 0.90 ALDH1A1 (0.51) LMNAMAPTPTGER3TP53SMN1; SMN2
SCHEMBL686731 0.90 MAPT (0.55) LMNAMAPTPTGER3TP53SMN1; SMN2
SCHEMBL4700630 0.88 MAPT (0.44) LMNAMAPTPTGER3TP53SMN1; SMN2
SCHEMBL688073 0.88 ALDH1A1 (0.44) LMNAMAPTPTGER3TP53SMN1; SMN2
SCHEMBL688223 0.87 PTGER3 (0.55) LMNAMAPTPTGER3TP53SMN1; SMN2
SCHEMBL688224 0.86 PTGER3 (0.51) LMNAMAPTPTGER3TP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 EP 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
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US claimed
JP-2002544161-A 2002-12-24 JP claimed
WO-2000067746-A9 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2002-08-29 WO claimed
EP-1176956-A4 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2002-08-28 EP 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-1176956-A1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-02-06 EP claimed
WO-2000067746-A1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-11-16 WO 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
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
CN-1412181-A Carboxylic acid derivatives inhibiting the binding of integrins to their receptors TEXAS BIOTECHNOLOGIES CORP (US) 2003-04-23 CN 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 LMNA 1820/4885MAPT 2314/4885PTGER3 2942/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 LMNA 2248/4885MAPT 2566/4885PTGER3 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.