SCHEMBL688100

SCHEMBL688100

O=C(O)C[C@H](NC(=O)Nc1cccn(Cc2ccccc2Cl)c1=O)c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 15/20 0.62
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 4/20 0.59
MAPK1 P28482 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NPSR1 Q6W5P4 2/20 0.54
CYP1A2 P05177 2/20 0.52
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL27587408 1.00 PTGER3 (0.62) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL688122 0.94 PTGER3 (0.67) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL686675 0.93 PTGER3 (0.64) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL687891 0.92 PTGER3 (0.69) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL27741945 0.90 PTGER3 (0.59) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL687785 0.90 PTGER3 (0.61) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL687769 0.89 PTGER3 (0.62) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL688031 0.88 PTGER3 (0.60) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL688360 0.87 PTGER3 (0.62) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL688027 0.87 PTGER3 (0.67) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2

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 14 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
CN-101475526-B Carboxylic acid derivatives inhibiting the binding of integrins to receptors thereof TEXAS BIOTECHNOLOGY CORP 2011-05-25 CN 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-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US 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
CN-101475526-A Carboxylic acid derivatives inhibiting the binding of integrins to receptors thereof TEXAS BIOTECHNOLOGY CORP (US) 2009-07-08 CN disclosed
CN-100491353-C Carboxylic acid derivatives inhibiting the binding of integrins to their receptors TEXAS BIOTECHNOLOGIES CORP (US) 2009-05-27 CN 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
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
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 PTGER3 2942/4885ALDH1A1 53/4885KDM4E 2631/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 PTGER3 2649/4885ALDH1A1 57/4885KDM4E 3292/4885

“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.