SCHEMBL686965

SCHEMBL686965

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 1/20 0.35
FFAR1 O14842 2/20 0.33
P2RX3 P56373 1/20 0.33
CYP3A4 P08684 1/20 0.32
GNRHR P30968 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
SCHEMBL686800 0.95 PPARG (0.41) PPARGSMN1; SMN2KMT2AFFAR1CYP3A4
SCHEMBL687921 0.94 KMT2A (0.36) PPARGSMN1; SMN2KMT2AFFAR1P2RX3
SCHEMBL27741949 0.93 PPARG (0.38) PPARGSMN1; SMN2P2RX3
SCHEMBL688543 0.92 SMN1; SMN2 (0.38) PPARGSMN1; SMN2KMT2ACYP3A4GNRHR
SCHEMBL687772 0.90 SMN1; SMN2 (0.37) PPARGSMN1; SMN2KMT2AFFAR1P2RX3
SCHEMBL687048 0.89 CTSA (0.41) SMN1; SMN2P2RX3CYP3A4GNRHR
SCHEMBL688875 0.88 SMN1; SMN2 (0.37) PPARGSMN1; SMN2KMT2AFFAR1CYP3A4
SCHEMBL687964 0.88 PPARG (0.40) PPARGSMN1; SMN2FFAR1CYP3A4
SCHEMBL687119 0.87 SMN1; SMN2 (0.36) PPARGSMN1; SMN2KMT2AFFAR1P2RX3
SCHEMBL688414 0.87 KMT2A (0.37) PPARGSMN1; SMN2KMT2AFFAR1

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