SCHEMBL7148228

SCHEMBL7148228

O=C(NC(CC1CCCCC1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc[n+]2[O-])CC1=O)c1ccsc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.51
CTSL P07711 12/20 0.41
CTSS P25774 12/20 0.41
CTSB P07858 6/20 0.40
CTSV O60911 2/20 0.39
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL7484143 0.89 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7006534 0.88 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7015060 0.84 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7099951 0.84 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7009562 0.82 CTSK (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6409369 0.81 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7013531 0.80 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6409859 0.80 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4824107 0.78 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4792835 0.78 CTSK (0.56) 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-1278502-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-05-21 EP claimed
EP-1278502-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-01-29 EP claimed
WO-2001089451-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO claimed