SCHEMBL6640440

SCHEMBL6640440

Cc1cccc(S(=O)(=O)N2CCCC(NC(=O)C(CC(C)C)NC(=O)c3oc4ccccc4c3C)C(O)C2)n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.47
CTSL P07711 15/20 0.47
CTSS P25774 11/20 0.47
CTSB P07858 4/20 0.47
CTSV O60911 2/20 0.47
CASP1 P29466 1/20 0.39

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
SCHEMBL6640435 1.00 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6640430 1.00 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6632963 0.86 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6632960 0.86 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6632961 0.86 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6762056 0.85 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6762057 0.85 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096536 0.81 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096540 0.81 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7566866 0.81 CTSK (0.44) 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-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed