SCHEMBL688150

SCHEMBL688150

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CTSA P10619 6/20 0.36
PTGER3 P43115 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
KEAP1 Q14145 3/20 0.35
NFE2L2 Q16236 3/20 0.35
CYP26A1 O43174 4/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL27568478 0.92 ITGB1 (0.36) ITGB1ITGA4PTGER3ALDH1A1LMNA
SCHEMBL687691 0.88 PTGER3 (0.41) CTSAPTGER3CYP26A1
SCHEMBL687639 0.86 CTSA (0.36) ITGB1ITGA4CTSAPTGER3KDM4E
SCHEMBL688035 0.86 CTSA (0.41) RAB9ACTSAPTGER3KDM4EALDH1A1
SCHEMBL688277 0.86 MEN1 (0.39) ITGB1ITGA4CTSAKDM4EALDH1A1
SCHEMBL688155 0.86 PTGER3 (0.49) CTSAPTGER3KDM4EALDH1A1POLB
SCHEMBL688040 0.86 PTGER3 (0.49) CTSAPTGER3KDM4EALDH1A1POLB
SCHEMBL687149 0.86 CTSA (0.47) CTSAPTGER3ALDH1A1CYP26A1
SCHEMBL687628 0.84 KMT2A (0.42) CTSAPTGER3KDM4EALDH1A1LMNA
SCHEMBL688854 0.84 PPARG (0.39) ITGB1ITGA4CTSAPTGER3ALDH1A1

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 ITGB1 5/4885ITGA4 10/4885NPC1 1929/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ITGB1 7/4885ITGA4 21/4885NPC1 1856/4885

“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.