SCHEMBL6168409

SCHEMBL6168409

CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2N2CCC(=O)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.63
PTGS1 P23219 6/20 0.63
GCK P35557 4/20 0.55
IDO1 P14902 1/20 0.48
GPR119 Q8TDV5 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43

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
SCHEMBL6169595 0.90 PTGS2 (0.73) PTGS2PTGS1GCKIDO1GPR119
SCHEMBL6171043 0.89 PTGS2 (0.71) PTGS2PTGS1GCKIDO1SCN10A
SCHEMBL6168591 0.89 PTGS2 (0.71) PTGS2PTGS1GCKIDO1SCN10A
SCHEMBL6168388 0.87 PTGS2 (0.65) PTGS2PTGS1GCKIDO1GPR119
SCHEMBL6171148 0.87 PTGS2 (0.69) PTGS2PTGS1GCKIDO1GPR119
SCHEMBL6170155 0.87 PTGS2 (0.63) PTGS2PTGS1GCKIDO1SCN10A
SCHEMBL6170358 0.87 PTGS2 (0.63) PTGS2PTGS1GCKIDO1GPR119
SCHEMBL6168649 0.86 PTGS2 (0.62) PTGS2PTGS1GCKIDO1SCN10A
SCHEMBL6172202 0.85 PTGS2 (0.69) PTGS2PTGS1GCKIDO1GPR119
SCHEMBL6172314 0.83 PTGS2 (0.61) PTGS2PTGS1GCKIDO1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015431-B1 2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC (CA) 2005-04-20 EP claimed
EP-1015431-A1 2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 Merck Frosst Canada & Co. (CA) 2000-07-05 EP claimed
WO-1999014195-A1 2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA & CO. (CA) 1999-03-25 WO claimed
EP-1015431-B1 2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC (CA) 2005-04-20 EP disclosed
EP-1015431-A1 2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 Merck Frosst Canada & Co. (CA) 2000-07-05 EP disclosed
US-6004950-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; ANALGESIC, ANTIPYRETICS; SIDE EFFECT REDUCTION MERCK FROSST CANADA, INC. (CA) 1999-12-21 US disclosed
WO-1999014195-A1 2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA & CO. (CA) 1999-03-25 WO disclosed