SCHEMBL6830135

SCHEMBL6830135

COc1ccc(Sc2c(C#N)oc3cc(S(C)(=O)=O)ccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.55
PTGS1 P23219 9/20 0.55
ALPL P05186 3/20 0.43
ALPI P09923 2/20 0.43
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5106571 0.78 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL6830914 0.76 PTGS2 (0.55) PTGS2PTGS1ALDH1A1LMNASMN1; SMN2
SCHEMBL6830161 0.75 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6829925 0.72 PTGS2 (0.38) PTGS2PTGS1ALPLALPIALDH1A1
SCHEMBL6829807 0.71 ALPL (0.43) PTGS2PTGS1ALPLALPIALDH1A1
SCHEMBL5106292 0.71 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5103160 0.66 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5104109 0.64 PTGS2 (0.81) PTGS2PTGS1ALDH1A1
SCHEMBL10373682 0.64 KDM4E (0.47) MAOBALDH1A1LMNASMN1; SMN2
SCHEMBL5116706 0.64 PTGS2 (0.79) PTGS2PTGS1

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 6/4885PTGS1 8/4885ALPL 3374/4885

“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.