SCHEMBL4074273

SCHEMBL4074273

CC(C)C[C@H](NC(=O)OC1CC12CCC2)C(=O)NC1(C#N)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.62
CTSS P25774 8/20 0.51
CTSK P43235 8/20 0.51
CTSB P07858 3/20 0.49

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
SCHEMBL346810 0.81 CTSS (0.62) CTSLCTSSCTSKCTSB
SCHEMBL6182672 0.77 CTSL (0.91) CTSLCTSSCTSKCTSB
SCHEMBL4243053 0.77 CTSL (1.00) CTSLCTSSCTSKCTSB
SCHEMBL8218549 0.77 CTSL (1.00) CTSLCTSSCTSKCTSB
SCHEMBL346969 0.76 CTSL (0.69) CTSLCTSSCTSKCTSB
SCHEMBL17060574 0.76 CTSS (0.73) CTSLCTSSCTSKCTSB
SCHEMBL23694015 0.73 CTSL (0.64) CTSLCTSSCTSKCTSB
SCHEMBL6183597 0.72 CTSL (0.67) CTSLCTSSCTSKCTSB
SCHEMBL10187872 0.70 CTSS (0.72) CTSLCTSSCTSKCTSB
SCHEMBL8224461 0.68 CTSS (0.72) CTSLCTSSCTSKCTSB

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 claimed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 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