SCHEMBL687045

SCHEMBL687045

Cc1cn(Cc2ccccc2Cl)c(=O)c(NC(=O)N[C@@H](CC(=O)O)c2cccc(C(F)F)c2)c1O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 12/20 0.42
CNR2 P34972 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
MAPT P10636 1/20 0.37
CTSA P10619 1/20 0.37
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
CYP26A1 O43174 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL688442 0.93 PTGER3 (0.42) PTGER3CNR2SLC22A12MAPTCTSA
SCHEMBL688053 0.92 PTGER3 (0.43) PTGER3CNR2SLC22A12MAPTCTSA
SCHEMBL687712 0.91 PTGER3 (0.43) PTGER3CNR2SLC22A12MAPTCTSA
SCHEMBL687796 0.90 CTSA (0.46) PTGER3CNR2SLC22A12MAPTCTSA
SCHEMBL686799 0.90 PTGER3 (0.51) PTGER3CNR2SLC22A12MAPTCTSA
SCHEMBL688170 0.89 PTGER3 (0.41) PTGER3CNR2SLC22A12MAPTITGB1
SCHEMBL688284 0.89 PTGER3 (0.43) PTGER3CNR2SLC22A12MAPTCTSA
SCHEMBL686986 0.89 MEN1 (0.42) PTGER3CNR2SLC22A12MAPTCTSA
SCHEMBL688379 0.89 PTGER3 (0.42) PTGER3CNR2SLC22A12CTSACYP26A1
SCHEMBL687873 0.88 PTGER3 (0.42) PTGER3CNR2SLC22A12MAPTITGB1

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 6 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
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 PTGER3 2942/4885CNR2 2011/4885SLC22A12 2041/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 PTGER3 2649/4885CNR2 1897/4885SLC22A12 1724/4885

“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.