SCHEMBL327063

SCHEMBL327063

NC(=O)c1ccc2cc(C(=O)O)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 3/20 0.56
MAPT P10636 1/20 0.56
DAO P14920 1/20 0.56
SRD5A2 P31213 1/20 0.56
EIF4A3 P38919 1/20 0.55
PLG P00747 1/20 0.52
PLAU P00749 1/20 0.52
GPR35 Q9HC97 1/20 0.51
SMAD3 P84022 1/20 0.49
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
F7 P08709 1/20 0.47

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
SCHEMBL30344312 0.89 PLG (0.55) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL30445643 0.87 HSD17B10 (0.61) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL69851 0.87 HSD17B10 (0.61) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL21822252 0.87 PLG (0.69) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL31689654 0.87 PLG (0.69) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL13387192 0.86 CASP3 (0.55) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL3632014 0.86 MMP2 (0.62) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL2416795 0.84 HSD17B10 (0.50) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL31689694 0.84 HSD17B10 (0.50) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL12277266 0.84 HSD17B10 (0.50) HSD17B10KDM4EHPGDMAPTDAO

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
US-8697911-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-15 US disclosed
EP-2590950-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-05-15 EP disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 WO disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 WO 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 (1 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA HSD17B10 2282/4885KDM4E 2031/4885HPGD 771/4885

“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.