SCHEMBL4587527

SCHEMBL4587527

COc1ccc(-c2nsc(C)c2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.52
PTGS1 P23219 6/20 0.52

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
SCHEMBL4586982 0.88 CA2 (0.54) PTGS2PTGS1
SCHEMBL4587361 0.85 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL4585890 0.83 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL4588076 0.83 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL4587169 0.83 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL4586151 0.81 ALDH1A1 (0.53) PTGS2
SCHEMBL6169982 0.76 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL7503391 0.75 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL12694216 0.74 ALDH1A1 (0.54) PTGS2
SCHEMBL11986371 0.73 PKM (0.70) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556364-A4 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP (KR) 2008-04-16 EP claimed
CN-100357282-C Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP (KR) 2007-12-26 CN claimed
CN-1705650-A Isothiazole derivatives, process for preparing the same, and pharmaceutical composition comprising the same CJ CORP (KR) 2005-12-07 CN claimed
US-6967213-B2 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP. (KR) 2005-11-22 US claimed
EP-1556364-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ Corp. (KR) 2005-07-27 EP claimed
WO-2004035553-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP. (KR) 2004-04-29 WO claimed
US-20040072884-A1 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP. (KR) 2004-04-15 US claimed
EP-1556364-A4 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP (KR) 2008-04-16 EP disclosed
CN-100357282-C Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP (KR) 2007-12-26 CN disclosed
CN-1705650-A Isothiazole derivatives, process for preparing the same, and pharmaceutical composition comprising the same CJ CORP (KR) 2005-12-07 CN disclosed
US-6967213-B2 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP. (KR) 2005-11-22 US disclosed
EP-1556364-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ Corp. (KR) 2005-07-27 EP disclosed
WO-2004035553-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP. (KR) 2004-04-29 WO disclosed
US-20040072884-A1 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP. (KR) 2004-04-15 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-20040072884-A1 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CYP3A5, CYP2C9, CYP2C19 PTGS2 152/4885PTGS1 31/4885

“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.