SCHEMBL3352243

SCHEMBL3352243

COc1ccc(-c2nc(OCc3ccccc3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.53
PTGS1 P23219 14/20 0.53
ABCB11 O95342 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA7 P43166 2/20 0.46

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
SCHEMBL3354450 0.88 PTGS2 (0.57) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL3359294 0.87 PTGS2 (0.62) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL3357910 0.84 PTGS2 (0.58) PTGS2PTGS1CA1CA2CA4
SCHEMBL3356886 0.80 PTGS2 (0.61) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL5203026 0.79 PTGS2 (0.68) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL3358279 0.75 PTGS2 (0.60) PTGS2PTGS1CA1CA2CA4
SCHEMBL3355646 0.74 PTGS2 (0.57) PTGS2PTGS1CA1CA2CA4
SCHEMBL7779837 0.74 PTGS2 (0.54) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL13633925 0.74 PTGS2 (0.76) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL14533970 0.74 CA12 (0.57) PTGS2PTGS1CA1CA2CA4

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 PTGS2 2356/4885PTGS1 808/4885ABCB11 35/4885

“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.