SCHEMBL995981

SCHEMBL995981

CCCCOC(=O)NCC(C(=O)O)N1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
ADAM10 O14672 1/20 0.39
MMP3 P08254 1/20 0.39
ADAM9 Q13443 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
ACHE P22303 5/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL996327 0.86 ADAM17 (0.37) ADAM17NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16054126 0.84 NPC1 (0.41) TDP1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16054686 0.83 SIGMAR1 (0.43) NPC1RAB9ASMN1; SMN2LMNAACHE
SCHEMBL1000040 0.81 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2LMNAACHE
SCHEMBL16054821 0.81 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2LMNAHRH2
SCHEMBL1504889 0.79 ADAM17 (0.64) ADAM17ADAM10MMP3ADAM9HRH2
SCHEMBL995014 0.79 ADAM17 (0.43) ADAM17ADAM10MMP3ADAM9
SCHEMBL995012 0.79 ADAM17 (0.43) ADAM17ADAM10MMP3ADAM9
SCHEMBL995255 0.79 ADAM17 (0.43) ADAM17ADAM10MMP3ADAM9
SCHEMBL995318 0.75 MEN1 (0.45) ADAM17NPC1RAB9ASMN1; SMN2LMNA

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-2968314-A2 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS Galderma Research & Development (FR) 2016-01-20 EP disclosed
WO-2014140861-A2 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-09-18 WO disclosed
EP-2477968-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL]BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS Galderma Research & Development (FR) 2012-07-25 EP disclosed
EP-2448920-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS Galderma Research & Development (FR) 2012-05-09 EP disclosed
WO-2011033009-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 WO disclosed
WO-2011001089-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-06 WO disclosed