SCHEMBL8639013

SCHEMBL8639013

O=S(=O)(Nn1nc(C(F)(F)C(F)(F)F)cc1-c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.41
PTGS1 P23219 2/20 0.41
MALT1 Q9UDY8 1/20 0.40
PDPK1 O15530 2/20 0.40
KDM1A O60341 1/20 0.38
LMNA P02545 1/20 0.37
NAT1 P18440 1/20 0.37
KAT6A Q92794 1/20 0.37
RXRA P19793 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL8637361 0.93 PTGS2 (0.39) PTGS2PTGS1MALT1PDPK1KDM1A
SCHEMBL8639795 0.91 PTGS2 (0.50) PTGS2PTGS1MALT1PDPK1RXRA
SCHEMBL8637647 0.89 PTGS2 (0.41) PTGS2PTGS1MALT1PDPK1KDM1A
SCHEMBL8643853 0.89 PTGS2 (0.41) PTGS2PTGS1MALT1PDPK1KDM1A
SCHEMBL8637675 0.88 PTGS2 (0.43) PTGS2PTGS1MALT1PDPK1KDM1A
SCHEMBL8640278 0.85 PTGS2 (0.41) PTGS2PTGS1MALT1PDPK1KDM1A
Benzenesulfonamide SCHEMBL7113357 0.85 PTGS2 (0.59) PTGS2PTGS1PDPK1
SCHEMBL8644122 0.85 MALT1 (0.41) PTGS2PTGS1MALT1KDM1ANAT1
SCHEMBL8639192 0.83 MALT1 (0.43) PTGS2PTGS1MALT1KDM1ALMNA
SCHEMBL8639275 0.83 MALT1 (0.44) MALT1KDM1ALMNANAT1KAT6A

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 6 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
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed