SCHEMBL688330

SCHEMBL688330

CCOc1cccc(Cl)c1Cn1cc(C)c(O)c(NC(=O)N[C@@H](CC(=O)O)c2ccc3cc(OC)ccc3c2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
PTGER3 P43115 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CTSA P10619 7/20 0.36
FFAR1 O14842 1/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 1/20 0.36
UTS2R Q9UKP6 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 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
SCHEMBL687907 0.96 SMN1; SMN2 (0.38) SMN1; SMN2PTGER3CTSAFFAR1POLB
SCHEMBL13120941 0.94 ALDH1A1 (0.40) SMN1; SMN2PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL688386 0.94 SMN1; SMN2 (0.40) SMN1; SMN2PTGER3CTSAPOLBKMT2A
SCHEMBL687310 0.92 CTSA (0.39) SMN1; SMN2PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL13143757 0.91 PTGER3 (0.37) SMN1; SMN2PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL686989 0.90 SMN1; SMN2 (0.38) SMN1; SMN2PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL687631 0.90 SMN1; SMN2 (0.49) SMN1; SMN2CTSAPOLBKMT2ANPSR1
SCHEMBL688501 0.89 SMN1; SMN2 (0.40) SMN1; SMN2PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL687715 0.89 CTSA (0.39) SMN1; SMN2CTSAPOLBKMT2ANPSR1
SCHEMBL687119 0.88 SMN1; SMN2 (0.36) SMN1; SMN2PTGER3CYP1A2CYP2C9CYP2C19

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 11 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-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-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 SMN1; SMN2 2958/4885PTGER3 2942/4885CYP1A2 2894/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 SMN1; SMN2 2960/4885PTGER3 2649/4885CYP1A2 3127/4885

“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.