SCHEMBL7445825

SCHEMBL7445825

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.42
CTSL P07711 17/20 0.42
CTSS P25774 13/20 0.42
CTSB P07858 4/20 0.42
CTSV O60911 2/20 0.42
CACNA1B Q00975 1/20 0.38
LARS1 Q9P2J5 1/20 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
SCHEMBL4686499 0.83 CTSK (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5971807 0.83 CTSK (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4322478 0.82 CTSL (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7453948 0.82 CTSK (0.67) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7450632 0.82 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4309335 0.80 CTSL (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4312277 0.80 CTSL (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4319065 0.80 CTSL (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4315854 0.80 CTSL (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105302 0.78 CTSK (0.41) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002533452-A 2002-10-08 JP claimed
EP-1140897-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-04-03 EP claimed
EP-1140897-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-10-10 EP claimed
WO-2000039115-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed
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