SCHEMBL8640765

SCHEMBL8640765

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.51
PTGS2 P35354 8/20 0.51
PDPK1 O15530 2/20 0.49
RXRA P19793 3/20 0.43
NR1H2 P55055 3/20 0.43
NR1H3 Q13133 3/20 0.43
FFAR4 Q5NUL3 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8641577 0.92 PTGS2 (0.49) PTGS1PTGS2PDPK1RXRANR1H2
SCHEMBL8638826 0.92 PTGS2 (0.49) PTGS1PTGS2PDPK1RXRANR1H2
SCHEMBL8351386 0.92 PTGS2 (0.49) PTGS1PTGS2PDPK1RXRANR1H2
SCHEMBL8643571 0.91 PTGS2 (0.51) PTGS1PTGS2PDPK1FFAR4
SCHEMBL8638817 0.91 PTGS2 (0.46) PTGS1PTGS2PDPK1RXRANR1H2
SCHEMBL7135445 0.91 PTGS2 (0.51) PTGS1PTGS2PDPK1
SCHEMBL8639795 0.91 PTGS2 (0.50) PTGS1PTGS2PDPK1RXRANR1H2
SCHEMBL6514097 0.91 PTGS2 (0.50) PTGS1PTGS2PDPK1RXRANR1H2
SCHEMBL8637254 0.90 PTGS2 (0.53) PTGS1PTGS2PDPK1RXRANR1H2
SCHEMBL6517839 0.90 PTGS2 (0.47) PTGS1PTGS2PDPK1RXRANR1H2

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