SCHEMBL8639423

SCHEMBL8639423

COc1cc(F)ccc1-c1cc(C(F)(F)F)nn1NS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.48
MAPT P10636 4/20 0.39
THRB P10828 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP17A1 P05093 2/20 0.39
CCNT1 O60563 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
STAT3 P40763 1/20 0.38
HTT P42858 1/20 0.38
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL8636816 0.91 PTGS2 (0.56) PTGS2MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL8690933 0.90 PTGS2 (0.45) PTGS2MAPTSMN1; SMN2POLBPTGS1
SCHEMBL8639153 0.89 PTGS2 (0.45) PTGS2MAPTTHRBSMN1; SMN2POLB
SCHEMBL8635867 0.87 PTGS2 (0.43) PTGS2NR3C1PTGS1
SCHEMBL8643950 0.86 PTGS2 (0.43) PTGS2NR3C1PTGS1
SCHEMBL8641086 0.84 PTGS2 (0.44) PTGS2MAPTSMN1; SMN2LMNAHTT
SCHEMBL8640824 0.84 PTGS2 (0.42) PTGS2MAPTSMN1; SMN2NR3C1TP53
SCHEMBL8640455 0.81 PTGS2 (0.45) PTGS2MAPTTHRBSMN1; SMN2POLB
SCHEMBL8637024 0.81 PTGS2 (0.54) PTGS2MAPTTHRBSMN1; SMN2POLB
SCHEMBL8639807 0.81 PTGS2 (0.43) PTGS2LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US claimed
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed
US-5510496-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed