SCHEMBL6897906

SCHEMBL6897906

CCC[CH]C(=O)NC1CCCN(S(=O)(=O)c2cccc[n+]2[O-])CC1=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.53
CTSL P07711 7/20 0.36
CTSS P25774 7/20 0.36
CTSB P07858 5/20 0.36
CTSV O60911 1/20 0.35
PKM P14618 1/20 0.35
DRD4 P21917 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4686403 0.89 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7424532 0.88 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096677 0.85 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4687353 0.85 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7165219 0.82 CTSK (0.38) CTSKPKMMEN1KMT2A
SCHEMBL7426096 0.80 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7428434 0.79 MEN1 (0.48) PKMMEN1KMT2A
SCHEMBL7538673 0.78 ATM (0.49)
SCHEMBL5092893 0.77 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099002 0.77 CTSK (0.41) 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 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-1232154-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-23 EP disclosed
EP-1232154-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2002-08-21 EP disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2001034600-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed