SCHEMBL6829925

SCHEMBL6829925

CS(=O)(=O)c1ccc2c(O)c(C#N)oc2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.38
ENPP2 Q13822 1/20 0.37
HSD17B3 P37058 1/20 0.37
ALPL P05186 4/20 0.35
PKM P14618 2/20 0.35
MAPK1 P28482 1/20 0.35
ALPI P09923 3/20 0.34
FASN P49327 1/20 0.34
LRRK2 Q5S007 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGES O14684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6829807 0.79 ALPL (0.43) PTGS2ALPLALPILRRK2PTGS1
SCHEMBL11126762 0.73 AHR (0.44) HSD17B3
SCHEMBL6830135 0.72 PTGS2 (0.55) PTGS2ALPLALPIPTGS1ALDH1A1
SCHEMBL6830161 0.71 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL23693718 0.68 TSHR (0.56) PTGS2MAPK1NPC1RAB9AKDM4E
SCHEMBL29887043 0.68 TSHR (0.56) PTGS2MAPK1NPC1RAB9AKDM4E
SCHEMBL29887138 0.68 TSHR (0.56) PTGS2MAPK1NPC1RAB9AKDM4E
SCHEMBL11130218 0.67 NQO1 (0.50) MAPK1KDM4EALDH1A1
SCHEMBL23693757 0.67 TTR (0.51) PTGS2PTGS1KDM4EALDH1A1
SCHEMBL29886870 0.67 TTR (0.51) PTGS2PTGS1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347963-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
EP-1347963-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-01 EP disclosed
US-6433005-B1 SELECTIVE COX II INHIBITOR SYNTEX (U.S.A.) LLC 2002-08-13 US disclosed
US-20020107280-A1 NEW BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-08-08 US disclosed
WO-2002046178-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 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-20020107280-A1 NEW BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS SULT1E1, SULT2A1, SULT1A1 PTGS2 6/4885ENPP2 2456/4885HSD17B3 869/4885

“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.