SCHEMBL3359602

SCHEMBL3359602

CCOc1ccc(-c2nc(O)nn2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.61
CA2 P00918 4/20 0.61
PTGS2 P35354 14/20 0.58
PTGS1 P23219 4/20 0.58
CA9 Q16790 3/20 0.55
CA7 P43166 2/20 0.55
CA12 O43570 1/20 0.55
MMP2 P08253 1/20 0.51
CA4 P22748 2/20 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
SCHEMBL4243587 0.87 PTGS2 (0.60) CA1CA2PTGS2PTGS1CA9
SCHEMBL5202692 0.84 PTGS2 (0.67) CA1CA2PTGS2PTGS1CA9
SCHEMBL4245103 0.81 PTGS2 (0.60) CA1CA2PTGS2PTGS1CA9
SCHEMBL3352528 0.81 PTGS2 (0.61) CA1CA2PTGS2PTGS1CA9
SCHEMBL3355461 0.81 CA2 (0.56) CA1CA2PTGS2PTGS1CA9
SCHEMBL3356888 0.80 PTGS2 (0.61) CA1CA2PTGS2PTGS1CA9
SCHEMBL4248049 0.77 PTGS2 (0.59) CA1CA2PTGS2PTGS1CA9
SCHEMBL3355646 0.77 PTGS2 (0.57) CA1CA2PTGS2PTGS1CA9
SCHEMBL3355080 0.76 PTGS2 (0.62) CA1CA2PTGS2PTGS1CA7
SCHEMBL5206224 0.75 PTGS2 (0.60) CA1CA2PTGS2PTGS1CA9

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 13 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
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
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 CA1 2194/4885CA2 1452/4885PTGS2 2356/4885

“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.