SCHEMBL6829774

SCHEMBL6829774

CS(=O)(=O)c1ccc2c(Sc3ccccc3Cl)c(C#N)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.61
PTGS1 P23219 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
GHSR Q92847 2/20 0.34
USP7 Q93009 2/20 0.34
USP47 Q96K76 1/20 0.34
ALDH1A1 P00352 1/20 0.33
AR P10275 1/20 0.33
PDE4B Q07343 1/20 0.32
PTGES O14684 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIP4K2A P48426 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL6829923 0.89 PTGS2 (0.47) PTGS2PTGS1LMNAMAPTHTT
SCHEMBL6827048 0.88 PTGS2 (0.48) PTGS2PTGS1KMT2AUSP7USP47
SCHEMBL6827093 0.87 PTGS2 (0.47) PTGS2PTGS1SMN1; SMN2LMNATP53
SCHEMBL6829777 0.84 PTGS2 (0.45) PTGS2PTGS1SMN1; SMN2LMNATP53
SCHEMBL6830324 0.82 PTGS2 (0.46) PTGS2PTGS1KMT2APDE4B
SCHEMBL6827195 0.79 PTGS2 (0.61) PTGS2PTGS1USP7USP47
SCHEMBL6831945 0.78 PTGS2 (0.47) PTGS2PTGS1SMN1; SMN2LMNAMAPT
SCHEMBL6830307 0.77 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6830436 0.77 PTGS2 (0.39) PTGS2PTGS1SMN1; SMN2LMNAKMT2A
SCHEMBL6830914 0.76 PTGS2 (0.55) PTGS2PTGS1SMN1; SMN2LMNAMAPT

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 6 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 claimed
US-6433005-B1 SELECTIVE COX II INHIBITOR SYNTEX (U.S.A.) LLC 2002-08-13 US claimed
US-20020107280-A1 NEW BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-08-08 US claimed
EP-1347963-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS HOFFMANN LA ROCHE (CH) 2004-08-25 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

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 8/4885SMN1; SMN2 1946/4885

“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.