SCHEMBL4243855

SCHEMBL4243855

N#CC1(NC(=O)[CH]CC(F)(F)CC(N)=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.33
CTSS P25774 8/20 0.33
CTSB P07858 7/20 0.33
CTSL P07711 7/20 0.33
CTSC P53634 2/20 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
SCHEMBL3881247 0.86 CTSK (0.34) CTSKCTSSCTSBCTSLCTSC
SCHEMBL4063005 0.83 CTSC (0.34) CTSKCTSSCTSBCTSLCTSC
SCHEMBL4242428 0.83 CTSK (0.32) CTSKCTSSCTSBCTSLCTSC
SCHEMBL4244011 0.81 CTSK (0.40) CTSKCTSSCTSBCTSL
SCHEMBL4245817 0.77 CTSS (0.40) CTSKCTSSCTSBCTSL
SCHEMBL4239823 0.76 CTSS (0.51) CTSKCTSSCTSBCTSL
SCHEMBL4066120 0.75 CTSL (0.37) CTSKCTSSCTSBCTSLCTSC
SCHEMBL11889808 0.75 CTSC (0.33) CTSKCTSSCTSBCTSLCTSC
SCHEMBL4245581 0.73 CTSL (0.39) CTSKCTSSCTSBCTSL
SCHEMBL4246964 0.73 CTSL (0.37) CTSKCTSSCTSBCTSLCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP claimed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP claimed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO claimed
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