SCHEMBL5776943

SCHEMBL5776943

O=C(O)Cc1ccccc1NS(=O)(=O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 4/20 0.53
CA2 P00918 1/20 0.50
PTGS2 P35354 8/20 0.49
AKR1B1 P15121 1/20 0.49
PTGS1 P23219 3/20 0.47
TTR P02766 2/20 0.47
NR1H4 Q96RI1 2/20 0.47
AKR1B10 O60218 1/20 0.47
UGT1A9 O60656 1/20 0.47
TRPA1 O75762 1/20 0.47
ABCB11 O95342 1/20 0.47
MT-CO2 P00403 1/20 0.47
ALB P02768 1/20 0.47
UGT1A6 P19224 1/20 0.47
UGT1A1 P22309 1/20 0.47
CXCR1 P25024 1/20 0.47
ADRA1A P35348 1/20 0.47
AGTR2 P50052 1/20 0.47
NR1I3 Q14994 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47

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
SCHEMBL11122074 0.86 CA2 (0.49) CXCL8CA2PTGS2PTGS1TTR
SCHEMBL5778304 0.84 PTGS1 (0.47) CA2PTGS2PTGS1
SCHEMBL11125379 0.82 PTGS1 (0.46) CXCL8CA2PTGS2PTGS1
SCHEMBL514554 0.82 CA2 (0.54) CA2PTGS2PTGS1
SCHEMBL7888388 0.79 PTGS2 (0.54) CXCL8PTGS2AKR1B1PTGS1TTR
SCHEMBL9571369 0.79 CA2 (0.54) CA2PTGS2PTGS1
SCHEMBL11124220 0.78 CA2 (0.42) CXCL8CA2PTGS2PTGS1AGTR2
SCHEMBL11124223 0.78 KMT2A (0.46) CA2PTGS2PTGS1
SCHEMBL5205026 0.78 ALDH1A1 (0.58) CXCL8PTGS2PTGS1TTRNR1H4
SCHEMBL11119042 0.77 PTGS1 (0.45) CA2PTGS2PTGS1AGTR2

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
EP-1652839-A2 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-05-03 EP disclosed
EP-1227084-B1 DRUG DISCHARGE PUMP INHIBITORS TRINE PHARMACEUTICALS INC (US) 2005-12-14 EP disclosed
EP-1227084-A1 DRUG DISCHARGE PUMP INHIBITORS Microcide Pharmaceuticals, Inc. (US) 2002-07-31 EP disclosed
EP-0038636-B1 SULFONAMIDE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-01-11 EP disclosed
US-4321081-A Ortho-(trifluoromethylsulfonamido)benzamides as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-03-23 US disclosed
EP-0038636-A2 Sulfonamide derivatives, compositions containing them and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-10-28 EP disclosed