SCHEMBL8034704

SCHEMBL8034704

Cc1cccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)c(CO)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 1/20 0.70

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
SCHEMBL8035549 0.89 PTGS2 (1.00) PTGS2
SCHEMBL5430673 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8023242 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8032790 0.89 PTGS2 (1.00) PTGS2
SCHEMBL8033137 0.87 PTGS2 (0.82) PTGS2
SCHEMBL8032915 0.87 PTGS2 (0.96) PTGS2PTGS1
SCHEMBL8033538 0.86 PTGS2 (0.79) PTGS2
SCHEMBL8023434 0.85 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8032923 0.85 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL8034991 0.84 PTGS2 (0.83) PTGS2

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
WO-2000066562-A1 PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO claimed
WO-2000066562-A1 PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO disclosed