SCHEMBL7450632

SCHEMBL7450632

CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1/C=C\CCN(S(=O)(=O)c2ccccn2)CC1O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.51
CTSL P07711 13/20 0.51
CTSS P25774 9/20 0.51
CTSB P07858 3/20 0.51
CTSV O60911 1/20 0.51
UTS2R Q9UKP6 1/20 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
SCHEMBL7453948 0.87 CTSK (0.67) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7453375 0.87 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7446343 0.86 CTSK (0.60) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6841339 0.85 CTSK (0.58) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6842084 0.85 CTSK (0.58) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7445825 0.82 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7488463 0.80 CTSK (0.75) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7451420 0.80 CTSK (0.72) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6841644 0.80 CTSK (0.76) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6843809 0.80 CTSK (0.76) 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-1140897-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-04-03 EP disclosed
EP-1140897-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-10-10 EP disclosed
WO-2000039115-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed