SCHEMBL7874468

SCHEMBL7874468

COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1F

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.70
PTGS1 P23219 7/20 0.70
CYP2C9 P11712 1/20 0.67

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
SCHEMBL7876594 0.91 PTGS2 (0.70) PTGS2PTGS1CYP2C9
SCHEMBL8069691 0.88 PTGS2 (0.65) PTGS2PTGS1CYP2C9
SCHEMBL7874455 0.88 PTGS2 (0.67) PTGS2PTGS1CYP2C9
Hydrochloric Acid SCHEMBL7874470 0.87 PTGS2 (0.64) PTGS2PTGS1CYP2C9
SCHEMBL7867732 0.86 PTGS2 (0.64) PTGS2PTGS1CYP2C9
SCHEMBL13945111 0.86 PTGS2 (0.67) PTGS2PTGS1CYP2C9
SCHEMBL7876348 0.86 PTGS2 (0.65) PTGS2PTGS1CYP2C9
SCHEMBL7876487 0.86 PTGS2 (0.65) PTGS2PTGS1CYP2C9
SCHEMBL7876663 0.85 PTGS2 (0.74) PTGS2PTGS1CYP2C9
SCHEMBL7461840 0.84 PTGS2 (0.81) 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 4 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 claimed
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