SCHEMBL687772

SCHEMBL687772

CCOc1cccc(Cl)c1Cn1c(C)cc(O)c(NC(=O)N[C@@H](CC(=O)O)c2cccc(OC(C)C)c2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 2/20 0.36
PPARG P37231 3/20 0.35
RAB9A P51151 1/20 0.34
PTGER3 P43115 1/20 0.34
FFAR1 O14842 3/20 0.33
P2RX3 P56373 2/20 0.33
KCNK2 O95069 1/20 0.33
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
KCNB1 Q14721 1/20 0.33
CTSA P10619 1/20 0.33
POLB P06746 1/20 0.33
ITGB1 P05556 2/20 0.32
ITGA4 P13612 2/20 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
SCHEMBL27762464 0.93 SMN1; SMN2 (0.38) SMN1; SMN2KMT2APPARGRAB9APTGER3
SCHEMBL686965 0.90 PPARG (0.40) SMN1; SMN2KMT2APPARGFFAR1P2RX3
SCHEMBL687921 0.89 KMT2A (0.36) SMN1; SMN2KMT2APPARGFFAR1P2RX3
SCHEMBL687573 0.87 SMN1; SMN2 (0.38) SMN1; SMN2KMT2APTGER3FFAR1P2RX3
SCHEMBL687119 0.85 SMN1; SMN2 (0.36) SMN1; SMN2KMT2APPARGPTGER3FFAR1
SCHEMBL688414 0.85 KMT2A (0.37) SMN1; SMN2KMT2APPARGFFAR1
SCHEMBL687275 0.85 SMN1; SMN2 (0.37) SMN1; SMN2KMT2APPARGRAB9AFFAR1
SCHEMBL686800 0.84 PPARG (0.41) SMN1; SMN2KMT2APPARGFFAR1CTSA
SCHEMBL688875 0.84 SMN1; SMN2 (0.37) SMN1; SMN2KMT2APPARGFFAR1CTSA
SCHEMBL27741949 0.82 PPARG (0.38) SMN1; SMN2PPARGP2RX3

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 2958/4885KMT2A 3959/4885PPARG 542/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 SMN1; SMN2 2960/4885KMT2A 3998/4885PPARG 518/4885

“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.