SCHEMBL687119

SCHEMBL687119

CCOc1cccc(Cl)c1Cn1cc(C)c(O)c(NC(=O)N[C@@H](CC(=O)O)c2cccc(OC(C)C)c2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
P2RX3 P56373 4/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 0.34
FFAR1 O14842 2/20 0.33
PPARG P37231 2/20 0.33
PTGER3 P43115 2/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
KCNK2 O95069 1/20 0.32
KCNA5 P22460 1/20 0.32
KCNH2 Q12809 1/20 0.32
KCNB1 Q14721 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL686996 0.96 P2RX3 (0.35) SMN1; SMN2P2RX3KMT2AKDM4EALDH1A1
SCHEMBL686989 0.95 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AKDM4EALDH1A1ITGB1
SCHEMBL688507 0.92 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AKDM4EALDH1A1ITGB1
SCHEMBL688946 0.92 SMN1; SMN2 (0.34) SMN1; SMN2KMT2AKDM4EALDH1A1ITGB1
SCHEMBL688105 0.91 ITGB3 (0.39) SMN1; SMN2KMT2AKDM4EALDH1A1KCNB1
SCHEMBL688419 0.91 SMN1; SMN2 (0.35) SMN1; SMN2P2RX3KMT2AKDM4EALDH1A1
SCHEMBL687688 0.91 SMN1; SMN2 (0.37) SMN1; SMN2P2RX3KMT2AKDM4EALDH1A1
SCHEMBL688501 0.91 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AKDM4EALDH1A1FFAR1
SCHEMBL688386 0.90 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AKDM4EALDH1A1ITGB1
SCHEMBL687801 0.90 FFAR1 (0.35) SMN1; SMN2P2RX3KMT2AKDM4EALDH1A1

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 7 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
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 2958/4885P2RX3 1911/4885KMT2A 3959/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 SMN1; SMN2 2960/4885P2RX3 2595/4885KMT2A 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.