SCHEMBL688247

SCHEMBL688247

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
PTGER3 P43115 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FFAR1 O14842 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
ITGB1 P05556 2/20 0.35
ITGA4 P13612 2/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 3/20 0.34
CTSA P10619 1/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 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
SCHEMBL28780278 1.00 SMN1; SMN2 (0.39) SMN1; SMN2PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL687573 0.95 SMN1; SMN2 (0.38) SMN1; SMN2PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL27762477 0.93 SMN1; SMN2 (0.39) SMN1; SMN2PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL6488554 0.92 FFAR1 (0.37) SMN1; SMN2PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL687970 0.90 SMN1; SMN2 (0.41) SMN1; SMN2PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL27741947 0.90 SMN1; SMN2 (0.41) SMN1; SMN2PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL688172 0.90 MAPT (0.41) SMN1; SMN2KDM4EALDH1A1HPGDITGB1
SCHEMBL687654 0.90 PTGER3 (0.43) SMN1; SMN2PTGER3CYP1A2KDM4EALDH1A1
SCHEMBL688331 0.89 SMN1; SMN2 (0.38) SMN1; SMN2PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL686989 0.89 SMN1; SMN2 (0.38) 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 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 2958/4885PTGER3 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.