SCHEMBL6590804

SCHEMBL6590804

CC(C)CC(NC(=O)c1ccsc1)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)C1=NC=CCC1=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 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 0.88 CTSL (0.37) CTSLCTSSCTSK
SCHEMBL4765376 0.86 CTSK (0.31) CTSLCTSSCTSK
SCHEMBL4767192 0.85 TAS1R3 (0.44)
SCHEMBL7422805 0.83 POLB (0.35)
SCHEMBL4767092 0.83 CTSK (0.44) CTSSCTSK
SCHEMBL4768775 0.82 GRN (0.45) CTSLCTSSCTSK
SCHEMBL4763006 0.81 NPC1 (0.36)
SCHEMBL4766746 0.80 CAPN1 (0.34)
SCHEMBL6588766 0.80 CTSK (0.32) CTSLCTSSCTSK
SCHEMBL4766715 0.80 CTSK (0.37) CTSLCTSSCTSK

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