SCHEMBL7097576

SCHEMBL7097576

[2H]C1=CC(C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H]2CC[C@@H](C)N(S(=O)(=O)c3ccccn3)CC2=O)OC1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.70
CTSL P07711 19/20 0.70
CTSS P25774 18/20 0.70
CTSV O60911 1/20 0.53
CTSB P07858 1/20 0.53

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
SCHEMBL6841469 0.82 CTSK (1.00) CTSKCTSLCTSSCTSVCTSB
SCHEMBL7097499 0.82 CTSK (0.76) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4318828 0.81 CTSK (0.70) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6744240 0.81 CTSK (0.70) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6842086 0.81 CTSK (0.74) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6215911 0.80 CTSK (0.81) CTSKCTSLCTSSCTSVCTSB
SCHEMBL5983017 0.80 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6263458 0.79 CTSK (0.72) CTSKCTSLCTSSCTSVCTSB
SCHEMBL5983414 0.78 CTSK (0.70) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6211970 0.74 CTSK (0.61) CTSKCTSLCTSSCTSVCTSB

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