SCHEMBL687970

SCHEMBL687970

CCOc1cccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(Cl)cn(Cc3c(Cl)cccc3OCC)c2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
FFAR1 O14842 2/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CTSA P10619 2/20 0.34
PTGER3 P43115 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
KCNB1 Q14721 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 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
SCHEMBL27741947 1.00 SMN1; SMN2 (0.41) SMN1; SMN2FFAR1KMT2AKDM4EALDH1A1
SCHEMBL686989 0.94 SMN1; SMN2 (0.38) SMN1; SMN2FFAR1KMT2AKDM4EALDH1A1
SCHEMBL688331 0.94 SMN1; SMN2 (0.38) SMN1; SMN2FFAR1KMT2AKDM4EALDH1A1
SCHEMBL687724 0.92 SMN1; SMN2 (0.36) SMN1; SMN2FFAR1KMT2AKDM4EALDH1A1
SCHEMBL688247 0.90 SMN1; SMN2 (0.39) SMN1; SMN2FFAR1KMT2AKDM4EALDH1A1
SCHEMBL28780278 0.90 SMN1; SMN2 (0.39) SMN1; SMN2FFAR1KMT2AKDM4EALDH1A1
SCHEMBL688507 0.90 SMN1; SMN2 (0.38) SMN1; SMN2FFAR1KMT2AKDM4EALDH1A1
SCHEMBL687688 0.90 SMN1; SMN2 (0.37) SMN1; SMN2FFAR1KMT2AKDM4EALDH1A1
SCHEMBL688501 0.90 SMN1; SMN2 (0.40) SMN1; SMN2FFAR1KMT2AKDM4EALDH1A1
SCHEMBL688946 0.89 SMN1; SMN2 (0.34) SMN1; SMN2FFAR1KMT2AKDM4EALDH1A1

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 SMN1; SMN2 2958/4885FFAR1 74/4885KMT2A 3959/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 SMN1; SMN2 2960/4885FFAR1 49/4885KMT2A 3998/4885

“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.