SCHEMBL687520

SCHEMBL687520

COc1cc([C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3ccccc3Cl)c2=O)cc2c1OCO2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 9/20 0.42
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
PDE7A Q13946 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 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
SCHEMBL687333 0.88 PTGER3 (0.47) PTGER3MAPTALDH1A1POLBLMNA
SCHEMBL688289 0.88 PTGER3 (0.47) PTGER3MAPTALDH1A1POLBPDE7A
SCHEMBL687904 0.86 PTGER3 (0.47) PTGER3MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL687660 0.86 ITGB3 (0.44) PTGER3ALDH1A1POLBKMT2A
SCHEMBL688250 0.85 PTGER3 (0.45) PTGER3MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL688236 0.85 PTGER3 (0.47) PTGER3MAPTALDH1A1LMNAKDM4E
SCHEMBL714562 0.84 PTGER3 (0.43) PTGER3MAPTALDH1A1PDE7AKDM4E
SCHEMBL687909 0.84 SMN1; SMN2 (0.49) PTGER3MAPTALDH1A1POLBLMNA
SCHEMBL687114 0.84 PTGER3 (0.45) PTGER3MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL687711 0.83 PTGER3 (0.45) PTGER3MAPTALDH1A1POLBLMNA

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 PTGER3 2942/4885MAPT 2314/4885ALDH1A1 53/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 PTGER3 2649/4885MAPT 2566/4885ALDH1A1 57/4885

“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.