SCHEMBL6983670

SCHEMBL6983670

CCC(COC(C)=S)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
SYK P43405 1/20 0.43
CTSK P43235 10/20 0.41
CTSS P25774 5/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 1/20 0.41
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.37
CYP2D6 P10635 1/20 0.37
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL6608157 1.00 SMN1; SMN2 (0.44) SMN1; SMN2SYKCTSKCTSSCA1
SCHEMBL6400733 0.88 CTSK (0.44) SYKCTSKCTSSCA1CA2
SCHEMBL6400709 0.86 SYK (0.40) SYKCTSKCTSSCA1CA2
SCHEMBL30175074 0.85 CA1 (0.39) SYKCTSKCTSSCA1CA2
SCHEMBL6605636 0.85 AAK1 (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL2010010 0.82 CYP1A2 (0.39) SMN1; SMN2SYKCTSKCTSSCA1
SCHEMBL29890909 0.82 CA1 (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL9911449 0.81 CA1 (0.52) SYKCTSKCTSSCA1CA2
SCHEMBL6405983 0.81 CA1 (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL16638817 0.80 CTSK (0.45) SMN1; SMN2SYKCTSKCTSSCA1

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-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO disclosed