SCHEMBL6901225

SCHEMBL6901225

[2H]C1NCCC[C@]([2H])(N(C(=O)C(CC(C)C)NC(=O)c2cc3sccc3s2)S(=O)(=O)c2ccccn2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.36
CTSL P07711 14/20 0.36
CTSS P25774 10/20 0.36
CTSB P07858 4/20 0.36
CTSV O60911 2/20 0.36

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
SCHEMBL6214787 0.81 CTSK (0.37) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6215050 0.79 CTSK (0.36) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4830428 0.78 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6602296 0.73 CTSL (0.32) CTSKCTSLCTSS
SCHEMBL4770431 0.71 CTSK (0.44) CTSKCTSSCTSB
SCHEMBL5971472 0.71
SCHEMBL4763062 0.71 GRN (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4770472 0.71 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14345781 0.71 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6836936 0.71 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV

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-1231922-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-23 EP disclosed
EP-1231922-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2002-08-21 EP disclosed
WO-2001034159-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed