SCHEMBL3352534

SCHEMBL3352534

CS(=O)(=O)c1ccc(-n2nc(O)nc2-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.59
ALOX5 P09917 3/20 0.58
PTGS1 P23219 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
EPHX2 P34913 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
SCHEMBL3356888 0.86 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5207846 0.86 PTGS2 (0.62) PTGS2ALOX5PTGS1SMN1; SMN2
SCHEMBL3355080 0.84 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL24747511 0.82 SMN1; SMN2 (0.62) SMN1; SMN2
SCHEMBL5865454 0.81 PTGS2 (0.62) PTGS2ALOX5PTGS1
SCHEMBL3359022 0.81 PTGS2 (0.58) PTGS2ALOX5PTGS1
SCHEMBL6885889 0.80 PTGS2 (0.55) PTGS2ALOX5PTGS1SMN1; SMN2
SCHEMBL3359258 0.78 PTGS2 (0.53) PTGS2ALOX5PTGS1
SCHEMBL6884445 0.78 PTGS2 (0.61) PTGS2ALOX5PTGS1
SCHEMBL4250896 0.78 PTGS2 (0.53) PTGS2ALOX5PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4532283-B2 2010-08-25 JP claimed
US-7473700-B2 1,2,4-triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CJ CORPORATION (KR) 2009-01-06 US claimed
US-20060074118-A1 1, 2, 4 - Triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CJ CORPORATION (JP) 2006-04-06 US claimed
CN-1732160-A 1,2,4-triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CJ CORP (KR) 2006-02-08 CN claimed
EP-1565447-A4 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORP (KR) 2005-11-16 EP claimed
EP-1565447-A1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ Corporation (KR) 2005-08-24 EP claimed
WO-2004048347-A1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORPORATION (KR) 2004-06-10 WO claimed
US-7473700-B2 1,2,4-triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CJ CORPORATION (KR) 2009-01-06 US disclosed
US-7473700-B2 1,2,4-triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CJ CORPORATION (KR) 2009-01-06 US disclosed
US-7473700-B2 1,2,4-triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CJ CORPORATION (KR) 2009-01-06 US disclosed
US-20060074118-A1 1, 2, 4 - Triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CJ CORPORATION (JP) 2006-04-06 US disclosed
CN-1732160-A 1,2,4-triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CJ CORP (KR) 2006-02-08 CN disclosed
EP-1565447-A4 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORP (KR) 2005-11-16 EP disclosed
EP-1565447-A1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ Corporation (KR) 2005-08-24 EP disclosed
WO-2004048347-A1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORPORATION (KR) 2004-06-10 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-20060074118-A1 1, 2, 4 - Triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CYP4B1, CYP3A4, CYP3A5 PTGS2 2356/4885ALOX5 1627/4885PTGS1 808/4885

“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.