SCHEMBL7876487

SCHEMBL7876487

COc1cc(-n2nc(C(F)(F)F)cc2-c2ccc(S(C)(=O)=O)cc2)ccc1Br

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.65
PTGS1 P23219 7/20 0.65
CYP2C9 P11712 1/20 0.65

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
SCHEMBL7874455 0.92 PTGS2 (0.67) PTGS2PTGS1CYP2C9
SCHEMBL7876594 0.88 PTGS2 (0.70) PTGS2PTGS1CYP2C9
SCHEMBL7876348 0.87 PTGS2 (0.65) PTGS2PTGS1CYP2C9
SCHEMBL8209186 0.86 PTGS2 (0.56) PTGS2PTGS1CYP2C9
SCHEMBL7874468 0.86 PTGS2 (0.70) PTGS2PTGS1CYP2C9
SCHEMBL7876235 0.86 PTGS2 (0.73) PTGS2PTGS1CYP2C9
SCHEMBL6464094 0.85 PTGS2 (0.84) PTGS2PTGS1CYP2C9
SCHEMBL8069691 0.85 PTGS2 (0.65) PTGS2PTGS1CYP2C9
SCHEMBL8201312 0.85 PTGS2 (0.53) PTGS2PTGS1CYP2C9
Hydrochloric Acid SCHEMBL7874470 0.84 PTGS2 (0.64) PTGS2PTGS1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316485-B1 INHIBITS ACTIVITY OF CYCLOOXYGENASE-2; FOR THERAPY AND PROPHYLAXIS OF INFLAMMATION, THROMBOSIS, RHEUMATOID ARTHRITIS, ALZHEIMER'S DISEASE; AS ANALGESIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
EP-1017678-A1 1,5-DIPHENYLPYRAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-12 EP disclosed
WO-1999015505-A1 1,5-DIPHENYLPYRAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed