SCHEMBL3355461

SCHEMBL3355461

NS(=O)(=O)c1ccc(-n2nc(O)nc2-c2ccc(Br)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.56
CA1 P00915 9/20 0.56
CA9 Q16790 9/20 0.55
CA4 P22748 5/20 0.55
PTGS2 P35354 4/20 0.55
MMP2 P08253 1/20 0.54
PTGS1 P23219 1/20 0.53
CA12 O43570 3/20 0.51

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
SCHEMBL3352528 0.87 PTGS2 (0.61) CA2CA1CA9CA4PTGS2
SCHEMBL3356888 0.86 PTGS2 (0.61) CA2CA1CA9CA4PTGS2
SCHEMBL5205884 0.85 PTGS2 (0.59) CA2CA1CA9CA4PTGS2
SCHEMBL4243587 0.84 PTGS2 (0.60) CA2CA1CA9CA4PTGS2
SCHEMBL5204799 0.82 PTGS2 (0.63) CA2CA1CA9CA4PTGS2
SCHEMBL4244581 0.81 PTGS2 (0.58) CA2CA1CA9CA4PTGS2
SCHEMBL30065425 0.81 PTGS2 (0.53) CA2CA1CA9CA4PTGS2
SCHEMBL3359602 0.81 CA1 (0.61) CA2CA1CA9CA4PTGS2
SCHEMBL3356886 0.78 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL6344664 0.74 CA1 (0.68) CA2CA1CA9CA4PTGS2

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 16 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
EP-1282613-A4 A PHARMACEUTICAL COMPOSITION CONTAINING THE EXTRACT OF SAURURUS CHINENSIS BAILL USEFUL AS AND ANTICANCER AGENT AND A PROCESS FOR THE PREPARATION THEREOF HAHM JONG CHEON (KR) 2005-04-20 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
EP-1282613-A1 A PHARMACEUTICAL COMPOSITION CONTAINING THE EXTRACT OF SAURURUS CHINENSIS BAILL USEFUL AS AND ANTICANCER AGENT AND A PROCESS FOR THE PREPARATION THEREOF Hahm, Jong-Cheon (KR) 2003-02-12 EP disclosed
WO-2001087869-A1 A PHARMACEUTICAL COMPOSITION CONTAINING THE EXTRACT OF SAURURUS CHINENSIS BAILL USEFUL AS AND ANTICANCER AGENT AND A PROCESS FOR THE PREPARATION THEREOF GREENTEK21 CO., LTD (KR) 2001-11-22 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 CA2 1452/4885CA1 2194/4885CA9 1291/4885

“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.