SCHEMBL688254

SCHEMBL688254

CCOc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)c(C)n(Cc3ccccc3Cl)c2=O)cc1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 4/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.38
PPARG P37231 1/20 0.38
PTGER3 P43115 2/20 0.38
MAPT P10636 5/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL687862 0.90 SMN1; SMN2 (0.43) SMN1; SMN2KMT2ANPSR1POLBLMNA
SCHEMBL688409 0.90 PPARG (0.42) SMN1; SMN2NPSR1POLBLMNAPPARG
SCHEMBL687967 0.90 SMN1; SMN2 (0.42) SMN1; SMN2KMT2ANPSR1POLBLMNA
SCHEMBL27741938 0.90 SMN1; SMN2 (0.42) SMN1; SMN2KMT2ANPSR1POLBLMNA
SCHEMBL687213 0.89 MAPT (0.43) SMN1; SMN2POLBPPARGPTGER3MAPT
SCHEMBL686509 0.87 MAPT (0.41) SMN1; SMN2KMT2APPARGPTGER3MAPT
SCHEMBL686808 0.86 CTSA (0.42) SMN1; SMN2PPARGPTGER3MAPTALDH1A1
SCHEMBL687242 0.86 SMN1; SMN2 (0.44) SMN1; SMN2KMT2ANPSR1POLBLMNA
SCHEMBL686857 0.86 SMN1; SMN2 (0.41) SMN1; SMN2KMT2ANPSR1POLBLMNA
SCHEMBL687038 0.86 SMN1; SMN2 (0.43) SMN1; SMN2KMT2ANPSR1POLBLMNA

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 3959/4885NPSR1 1388/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 SMN1; SMN2 2960/4885KMT2A 3998/4885NPSR1 1185/4885

“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.