SCHEMBL5710482

SCHEMBL5710482

COc1cc(S(=O)(=O)N(C)C)c(OC)cc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.66
TSHR P16473 5/20 0.57
GLA P06280 1/20 0.57
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
S100B P04271 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL29452089 0.86 TSHR (0.54) PKMTSHRGLAALDH1A1MAPT
SCHEMBL29451379 0.83 TSHR (0.58) PKMTSHRGLAALDH1A1MAPT
SCHEMBL30068292 0.79 PKM (1.00) PKMTSHRALDH1A1POLBL3MBTL1
SCHEMBL8777777 0.79 PKM (1.00) PKMTSHRALDH1A1POLBL3MBTL1
SCHEMBL8498272 0.78 PKM (0.70) PKMTSHRALDH1A1MAPTPOLB
SCHEMBL7764285 0.78 PKM (0.70) PKMTSHRALDH1A1MAPTPOLB
SCHEMBL4650366 0.78 PKM (0.70) PKMTSHRALDH1A1MAPTPOLB
SCHEMBL4639549 0.77 TSHR (0.51) PKMTSHRGLAALDH1A1MAPT
SCHEMBL1786119 0.77 TSHR (0.51) PKMTSHRGLAALDH1A1MAPT
SCHEMBL4610100 0.75 PKM (0.66) PKMALDH1A1MAPTPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214295-B1 HYDROXYACETAMIDOBENZENESULPHONAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-11-02 EP disclosed
US-6552225-B1 Such as n-(2,3-dichloro-4-(methylaminosulphonyl)phenyl)-3,3,3-trifluoro-2-hydroxy-2 -methylpropanamide; diabetes, obesity, lactic acidaemia ASTRAZENECA AB (SE) 2003-04-22 US disclosed
EP-1214295-A2 HYDROXYACETAMIDOBENZENESULPHONAMIDE DERIVATIVES AstraZeneca AB (SE) 2002-06-19 EP disclosed
WO-2001017955-A2 HYDROXYACETAMIDOBENZENESULPHONAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-15 WO disclosed