SCHEMBL687149

SCHEMBL687149

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3cc(C(F)(F)F)ccc3Cl)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 7/20 0.47
MAPT P10636 2/20 0.35
PTGER3 P43115 1/20 0.35
THRB P10828 1/20 0.35
SLC2A1 P11166 1/20 0.35
EEF2K O00418 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FFAR1 O14842 1/20 0.34
CYP26A1 O43174 3/20 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
SCHEMBL27762487 0.91 CTSA (0.38) CTSAMAPTTHRBEEF2KUTS2R
SCHEMBL27762486 0.91 CTSA (0.38) CTSAMAPTTHRBEEF2KUTS2R
SCHEMBL687691 0.90 PTGER3 (0.41) CTSAPTGER3CYP26A1
SCHEMBL688082 0.88 TP53 (0.41) CTSAMAPTEEF2KUTS2RALDH1A1
SCHEMBL688125 0.88 CTSA (0.46) CTSAEEF2KUTS2RALDH1A1FFAR1
SCHEMBL687043 0.87 CTSA (0.45) CTSAMAPTPTGER3THRBEEF2K
SCHEMBL687639 0.86 CTSA (0.36) CTSAMAPTPTGER3CYP26A1
SCHEMBL688035 0.86 CTSA (0.41) CTSAMAPTPTGER3THRBALDH1A1
SCHEMBL688202 0.86 KDM4E (0.41) CTSAMAPTPTGER3ALDH1A1CYP26A1
SCHEMBL688040 0.86 PTGER3 (0.49) CTSAMAPTPTGER3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (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 CTSA 686/4885MAPT 2314/4885PTGER3 2942/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 CTSA 471/4885MAPT 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.