SCHEMBL686984

SCHEMBL686984

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2cccn(Cc3ccccc3Br)c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PTGER3 P43115 12/20 0.53
KDM4E B2RXH2 7/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL27587259 1.00 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10PTGER3KDM4E
SCHEMBL687536 0.91 PTGER3 (0.55) ALDH1A1PTGER3KDM4EMEN1KMT2A
SCHEMBL687422 0.90 PTGER3 (0.54) ALDH1A1PTGER3KDM4EMEN1KMT2A
SCHEMBL27741941 0.89 ALDH1A1 (0.51) ALDH1A1TSHRHSD17B10PTGER3KDM4E
SCHEMBL27741939 0.89 ALDH1A1 (0.51) ALDH1A1TSHRHSD17B10PTGER3KDM4E
SCHEMBL686950 0.89 KDM4E (0.61) ALDH1A1PTGER3KDM4EMEN1KMT2A
SCHEMBL687891 0.89 PTGER3 (0.69) ALDH1A1PTGER3KDM4EMEN1KMT2A
SCHEMBL27568079 0.89 KDM4E (0.61) ALDH1A1PTGER3KDM4EMEN1KMT2A
SCHEMBL686550 0.89 PTGER3 (0.49) ALDH1A1TSHRHSD17B10PTGER3KDM4E
SCHEMBL686756 0.89 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10PTGER3KDM4E

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 17 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
CN-1412181-A Carboxylic acid derivatives inhibiting the binding of integrins to their receptors TEXAS BIOTECHNOLOGIES CORP (US) 2003-04-23 CN claimed
JP-2002544161-A 2002-12-24 JP 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
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 ALDH1A1 53/4885TSHR 2142/4885HSD17B10 2887/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ALDH1A1 57/4885TSHR 2293/4885HSD17B10 3036/4885

“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.