SCHEMBL6590701

SCHEMBL6590701

C[C@@H](CC(N)=O)CC(=O)NC1CCCN(S(=O)(=O)c2ccccn2)CC1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.42
CTSL P07711 7/20 0.42
CTSS P25774 6/20 0.42
CTSB P07858 5/20 0.41
CTSV O60911 1/20 0.41
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
CCR6 P51684 1/20 0.37
MAPT P10636 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
SCHEMBL7423583 0.90 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092594 0.87 SMN1; SMN2 (0.37) CTSKCTSLCTSSSMN1; SMN2ALDH1A1
SCHEMBL5098822 0.86 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105257 0.86 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6214073 0.86 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4685652 0.85 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7633224 0.82 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4924362 0.82 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6764445 0.82 CTSK (0.37) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4686499 0.81 CTSK (0.49) 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 6 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
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed