SCHEMBL5733503

SCHEMBL5733503

CSc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)cn1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.77
PTGS1 P23219 13/20 0.77

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
SCHEMBL5594492 0.91 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL215709 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594536 0.84 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL5595223 0.84 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL5594149 0.82 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL214744 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594435 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8887571 0.81 PTGS2 (0.85) PTGS2PTGS1
SCHEMBL5594069 0.81 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL5594745 0.81 PTGS2 (0.83) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1193265-B1 A process for the preparation of 4-¬2-(aryl or heterocyclo)-1H-imidazol-1-yl|benzenesulfonamides SEARLE LLC (US) 2006-11-29 EP claimed
EP-0772600-B1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP claimed