SCHEMBL4244011

SCHEMBL4244011

C[C@@H](CC(F)(F)C[CH]C(=O)NC1(C#N)CC1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.40
CTSS P25774 7/20 0.36
CTSB P07858 6/20 0.36
CTSL P07711 6/20 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
SCHEMBL4243855 0.81 CTSK (0.33) CTSKCTSSCTSBCTSL
SCHEMBL4243604 0.80 CTSL (0.37) CTSKCTSSCTSBCTSL
SCHEMBL3881247 0.79 CTSK (0.34) CTSKCTSSCTSBCTSL
SCHEMBL4063005 0.78 CTSC (0.34) CTSKCTSSCTSBCTSL
SCHEMBL4242428 0.78 CTSK (0.32) CTSKCTSSCTSBCTSL
SCHEMBL4245817 0.72 CTSS (0.40) CTSKCTSSCTSBCTSL
SCHEMBL7074903 0.72 CTSS (0.39) CTSKCTSSCTSBCTSL
SCHEMBL7571642 0.71 CTSL (0.43) CTSKCTSSCTSBCTSL
SCHEMBL4239823 0.71 CTSS (0.51) CTSKCTSSCTSBCTSL
SCHEMBL4250968 0.71 CTSS (0.43) CTSKCTSSCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520568-B1 Spirocyclic nitriles as inhibitors of protease SANOFI SA (FR) 2015-09-09 EP disclosed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 EP disclosed
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP disclosed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO disclosed