SCHEMBL8923287

SCHEMBL8923287

COCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 13/20 0.66
▸ PTGS1 P23219 8/20 0.66
▸ ABCB11 O95342 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53

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
SCHEMBL7460819 0.90 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8925421 0.89 PTGS2 (0.81) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL7463018 0.89 PTGS2 (0.81) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL7462312 0.85 PTGS2 (0.65) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL7462246 0.84 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL8954509 0.83 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL8953911 0.83 PTGS2 (0.73) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8954050 0.83 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL9003118 0.83 PTGS2 (0.73) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8635509 0.82 PTGS2 (0.78) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 — — US disclosed
US-5550147-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTITHROMBOTIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 — — US disclosed
EP-0554829-A2 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 — — EP disclosed
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