SCHEMBL687909

SCHEMBL687909

CCOc1cc([C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3ccccc3Cl)c2=O)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
PTGER3 P43115 4/20 0.44
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
POLB P06746 3/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.40
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL687629 0.96 SMN1; SMN2 (0.45) SMN1; SMN2PTGER3PDE4APDE4BPDE4C
SCHEMBL687904 0.95 PTGER3 (0.47) SMN1; SMN2PTGER3POLBKMT2AMAPT
SCHEMBL687118 0.91 SMN1; SMN2 (0.40) SMN1; SMN2PTGER3POLBKMT2AMAPT
SCHEMBL687114 0.91 PTGER3 (0.45) SMN1; SMN2PTGER3POLBMAPTITGB1
SCHEMBL688250 0.91 PTGER3 (0.45) SMN1; SMN2PTGER3POLBMAPTITGB1
SCHEMBL687004 0.90 SMN1; SMN2 (0.40) SMN1; SMN2PTGER3POLBKMT2AMAPT
SCHEMBL687711 0.90 PTGER3 (0.45) SMN1; SMN2PTGER3POLBMAPTLMNA
SCHEMBL687333 0.89 PTGER3 (0.47) SMN1; SMN2PTGER3POLBMAPTLMNA
SCHEMBL688289 0.89 PTGER3 (0.47) SMN1; SMN2PTGER3POLBMAPTALDH1A1
SCHEMBL687654 0.88 PTGER3 (0.43) SMN1; SMN2PTGER3KMT2AMAPTMEN1

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 2958/4885PTGER3 2942/4885PDE4A 2388/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 SMN1; SMN2 2960/4885PTGER3 2649/4885PDE4A 3265/4885

“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.