SCHEMBL4765376

SCHEMBL4765376

Cc1ccc(C(=O)NC(CC(C)C)C(=O)N([C@H]2CCCNCC2=O)S(=O)(=O)C2=NC=CCC2=O)cn1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL4763320 0.89 CTSL (0.37) CTSKCTSLCTSBCTSS
SCHEMBL6593138 0.87 CTSL (0.31) CTSKCTSLCTSBCTSS
SCHEMBL6590804 0.86 CTSL (0.31) CTSKCTSLCTSS
SCHEMBL4767192 0.86 TAS1R3 (0.44)
SCHEMBL4768775 0.84 GRN (0.45) CTSKCTSLCTSBCTSS
SCHEMBL7422805 0.84 POLB (0.35)
SCHEMBL6588766 0.83 CTSK (0.32) CTSKCTSLCTSBCTSS
SCHEMBL4763006 0.82 NPC1 (0.36)
SCHEMBL4767092 0.81 CTSK (0.44) CTSKCTSBCTSS
SCHEMBL4766746 0.80 CAPN1 (0.34)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed