SCHEMBL7013531

SCHEMBL7013531

O=C1CC=CN=C1S(=O)(=O)N1CCC[C@H](NC(=O)C(CC2CCCCC2)NC(=O)c2ccsc2)C(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.40
CTSS P25774 14/20 0.40
CTSL P07711 13/20 0.40
CTSB P07858 5/20 0.40
CTSV O60911 1/20 0.39
DDR1 Q08345 1/20 0.34
MAPK14 Q16539 1/20 0.34
DDR2 Q16832 1/20 0.34

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
SCHEMBL7015060 0.83 CTSK (0.57) CTSKCTSSCTSLCTSBCTSV
SCHEMBL7148228 0.80 CTSK (0.51) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6765719 0.76 CTSK (0.52) CTSKCTSSCTSLCTSBCTSV
SCHEMBL7010402 0.75 CTSK (0.53) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4763021 0.73 CTSK (0.57) CTSKCTSSCTSLCTSBCTSV
SCHEMBL13784228 0.72 CTSS (0.46) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6842086 0.72 CTSK (0.74) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4768304 0.71 CTSK (0.55) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6740265 0.71 CTSK (0.59) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6740268 0.71 CTSK (0.59) CTSKCTSSCTSLCTSBCTSV

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-1278502-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-05-21 EP disclosed
EP-1278502-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-01-29 EP disclosed
WO-2001089451-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO disclosed