SCHEMBL9537700

SCHEMBL9537700

CC(=O)c1ccc(NS(C)(=O)=O)c(Sc2ccccc2C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.50
AKR1C2 P52895 4/20 0.50
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PLA2G7 Q13093 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
HPGD P15428 2/20 0.39
PTGS2 P35354 2/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
MAPK3 P27361 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL9539520 0.82 ALDH1A1 (0.45) AKR1C3AKR1C2ALDH1A1SMN1; SMN2HPGD
SCHEMBL9535010 0.80 PTGS2 (0.54) AKR1C3AKR1C2ALDH1A1SMN1; SMN2HPGD
SCHEMBL9538064 0.80 ALDH1A1 (0.47) AKR1C3AKR1C2ALDH1A1SMN1; SMN2SLC22A12
SCHEMBL9538031 0.78 MAPT (0.50) AKR1C3AKR1C2ALDH1A1HPGDKMT2A
SCHEMBL9535435 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDPTGS2KMT2A
SCHEMBL9536230 0.76 PTGS2 (0.55) ALDH1A1SMN1; SMN2PLA2G7HPGDPTGS2
SCHEMBL9538507 0.75 PTGS2 (0.55) ALDH1A1SMN1; SMN2HPGDPTGS2KMT2A
SCHEMBL9868559 0.75 PTGS2 (0.48) AKR1C3AKR1C2ALDH1A1SMN1; SMN2HPGD
SCHEMBL9535213 0.75 PTGS2 (0.56) ALDH1A1SMN1; SMN2HPGDPTGS2KMT2A
SCHEMBL9534662 0.74 MAPT (0.55) AKR1C3AKR1C2ALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292979-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
US-5034417-A Antiinflammatory agents or analgesics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0292979-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-30 EP disclosed