SCHEMBL1728443

SCHEMBL1728443

CC(C)(C)OC(=O)N[C@]1(Cc2ccccc2)C[C@@H]2SC[C@@H](OC(=O)O)N2C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.40
DPP4 P27487 4/20 0.38
GRIN2B Q13224 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AKT1 P31749 4/20 0.33
ATM Q13315 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL1730373 0.93 PPIA (0.41) PPIADPP4GRIN2BCA12CA1
SCHEMBL1728442 0.87 PPIA (0.39) PPIADPP4GRIN2BCA12CA1
SCHEMBL1730102 0.86 DPP4 (0.40) PPIADPP4GRIN2BCA12CA1
SCHEMBL6479943 0.85 PPIA (0.40) PPIADPP4GRIN2BCA12CA1
SCHEMBL6479950 0.79 PPIA (0.39) PPIAGRIN2BCA12CA1CA7
SCHEMBL1730098 0.78 PPIA (0.32) PPIADPP8DPP9
SCHEMBL1728832 0.76 DPP4 (0.35) PPIADPP4
SCHEMBL1728385 0.76 DPP4 (0.35) PPIADPP4
SCHEMBL1728242 0.76 DPP4 (0.35) PPIADPP4
SCHEMBL1730740 0.76 DPP4 (0.36) DPP4

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-1651653-B1 NOVEL CYANO THIAZOLIDES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-23 EP disclosed
EP-1651653-A1 NOVEL CYANO THIAZOLIDES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2006-05-03 EP disclosed
WO-2005012312-A1 NOVEL CYANO THIAZOLIDES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-10 WO disclosed