SCHEMBL8546102

SCHEMBL8546102

COCc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)o1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.66
PTGS1 P23219 10/20 0.66
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALOX5 P09917 2/20 0.42
KIT P10721 1/20 0.41

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
SCHEMBL8148477 0.89 PTGS2 (0.51) PTGS2PTGS1MAOAMAOBCA12
SCHEMBL8552103 0.89 PTGS2 (0.51) PTGS2PTGS1MAOAMAOBCA12
SCHEMBL8547731 0.88 PTGS2 (0.50) PTGS2PTGS1CA12CA1CA2
SCHEMBL8552170 0.88 PTGS2 (0.50) PTGS2PTGS1MAOAMAOBCA12
SCHEMBL8547060 0.88 PTGS2 (0.50) PTGS2PTGS1MAOAMAOBCA12
SCHEMBL7503991 0.84 PTGS2 (0.67) PTGS2PTGS1MAOAMAOBCA2
SCHEMBL7501777 0.84 PTGS2 (0.58) PTGS2PTGS1MAOAMAOBCA12
SCHEMBL7508637 0.84 PTGS2 (0.67) PTGS2PTGS1MAOAMAOBCA12
SCHEMBL7502663 0.83 PTGS2 (0.57) PTGS2PTGS1MAOAMAOBCA12
SCHEMBL7500957 0.83 PTGS2 (0.57) PTGS2PTGS1MAOAMAOBCA12

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
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP claimed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO claimed
EP-0864570-A1 Epoxy-azetidinones, preparation and use thereof PLIVA farmaceutska, kemijska, prehrambena i kozmeticka industrija, dionicko drustvo (HR) 1998-09-16 EP disclosed
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed