SCHEMBL6896141

SCHEMBL6896141

CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N(C1CCCNC[C@@H]1O)S(=O)(=O)C1=NC=CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
CTSL P07711 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MAP1LC3B Q9GZQ8 1/20 0.31
MAP1LC3A Q9H492 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
REN P00797 1/20 0.30

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
SCHEMBL7386818 0.89
SCHEMBL6590774 0.84 CTSL (0.35) CTSLCTSBCTSSCTSK
SCHEMBL6593138 0.82 CTSL (0.31) CTSLCTSBCTSSCTSK
SCHEMBL4212772 0.81 CTSS (0.35) MAPK1CTSLALDH1A1LMNACTSB
SCHEMBL5971691 0.81 MAPK1 (0.36) MAPK1CTSLALDH1A1LMNACTSB
SCHEMBL6589031 0.81
SCHEMBL3955650 0.79 CTSL (0.36) MAPK1CTSLCTSBCTSSCTSK
SCHEMBL3955653 0.79 CTSL (0.36) MAPK1CTSLCTSBCTSSCTSK
SCHEMBL6589335 0.76
SCHEMBL4762162 0.73 MAPK1 (0.41) MAPK1CTSLCTSBCTSSCTSK

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1231922-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-23 EP disclosed
EP-1229914-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-23 EP disclosed
EP-1233771-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-05-14 EP disclosed
EP-1229912-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-05-07 EP disclosed
EP-1229911-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-05-07 EP disclosed
EP-1233771-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2002-08-28 EP disclosed
EP-1231922-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2002-08-21 EP disclosed
EP-1229911-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2002-08-14 EP disclosed
EP-1229912-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-08-14 EP disclosed
EP-1229914-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-08-14 EP disclosed
WO-2001034159-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2001034153-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2001034155-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2001034154-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2001034156-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed