SCHEMBL4678049

SCHEMBL4678049

CCCC(NC(c1ccc(Br)cc1)C(F)(F)F)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.55
CTSK P43235 13/20 0.55
CTSS P25774 12/20 0.55
CTSB P07858 11/20 0.55
FPR2 P25090 1/20 0.52
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44

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
SCHEMBL2156958 1.00 CTSL (0.55) CTSLCTSKCTSSCTSBFPR2
SCHEMBL2155289 1.00 CTSL (0.55) CTSLCTSKCTSSCTSBFPR2
SCHEMBL2156241 0.84 CTSL (0.76) CTSLCTSKCTSSCTSB
SCHEMBL8354274 0.84 CTSL (0.76) CTSLCTSKCTSSCTSB
SCHEMBL4672639 0.84 CTSL (0.57) CTSLCTSKCTSSCTSBGRN
SCHEMBL2131045 0.83 CTSL (0.61) CTSLCTSKCTSSCTSBFPR2
SCHEMBL4419936 0.83 CTSL (0.61) CTSLCTSKCTSSCTSBFPR2
SCHEMBL3767672 0.83 CTSL (0.55) CTSLCTSKCTSSCTSBGRN
SCHEMBL4085485 0.83 CTSL (0.72) CTSLCTSKCTSSCTSBFPR2
SCHEMBL1169219 0.83 CTSL (0.72) CTSLCTSKCTSSCTSBFPR2

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
CN-100430052-C Cathepsin cysteine protease inhibitors MERCK FROSST CANADA INC (CA) 2008-11-05 CN disclosed
EP-1482924-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-05-21 EP disclosed
EP-1482924-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2006-03-08 EP disclosed
CN-1638757-A Cathepsin cysteine protease inhibitors MERCK FROSST CANADA INC (CA) 2005-07-13 CN disclosed
EP-1482924-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2004-12-08 EP disclosed
WO-2003075836-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-18 WO disclosed