SCHEMBL4593136

SCHEMBL4593136

CS(=O)(=O)OC(CNC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1.CS(=O)(=O)OC(CNC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
SYK P43405 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CASP1 P29466 3/20 0.43
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL220137 1.00 HTT (0.47) HTTSYKLMNASMN1; SMN2CA12
SCHEMBL24635967 0.83 SYK (0.65) HTTSYKLMNASMN1; SMN2CA12
SCHEMBL4362880 0.81 SYK (0.49) HTTSYKLMNASMN1; SMN2CA12
SCHEMBL22775253 0.81 SYK (0.55) HTTSYKLMNASMN1; SMN2CA12
SCHEMBL13618133 0.80 SYK (0.48) HTTSYKLMNASMN1; SMN2CA12
SCHEMBL10402060 0.79 SYK (0.47) HTTSYKLMNASMN1; SMN2CA12
SCHEMBL10402059 0.79 SYK (0.47) HTTSYKLMNASMN1; SMN2CA12
SCHEMBL221316 0.79 CA12 (0.51) HTTSYKLMNASMN1; SMN2CA12
SCHEMBL6315326 0.78 MAOB (0.45) SYKCTSSCTSLL3MBTL1
SCHEMBL7243564 0.78 MAOB (0.45) SYKCTSSCTSLL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888567-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis (FR) 2008-02-20 EP disclosed
WO-2006122661-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS (DE) 2006-11-23 WO disclosed