SCHEMBL5636940

SCHEMBL5636940

CCCCC(NC(=O)O)C(=O)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 14/20 0.39
CAPN1 P07384 1/20 0.39
CNR2 P34972 1/20 0.39
POLB P06746 1/20 0.38
MME P08473 2/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
CTSB P07858 1/20 0.36
CTSH P09668 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
SCHEMBL5636936 1.00 CTSL (0.42) CTSLCTSSCTSKCAPN1CNR2
SCHEMBL6405796 0.86 CTSK (0.34) CTSLCTSSCTSKCTSB
SCHEMBL6409474 0.86 CTSK (0.34) CTSLCTSSCTSKCTSB
SCHEMBL6650575 0.79 CTSK (0.64) CTSLCTSSCTSKCTSB
SCHEMBL6646684 0.79 CTSK (0.64) CTSLCTSSCTSKCTSB
SCHEMBL6647590 0.78 CTSK (0.65) CTSLCTSSCTSKCTSB
SCHEMBL4908344 0.77 CTSK (0.40) CTSLCTSSCTSKCTSB
SCHEMBL6605332 0.77 CTSK (0.46) CTSLCTSSCTSKPOLBMME
SCHEMBL6405793 0.74 L3MBTL1 (0.34) CTSLCTSSCTSKCNR2
SCHEMBL6647226 0.74 CTSK (0.59) CTSLCTSSCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US disclosed
EP-1465862-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-10-13 EP disclosed
EP-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2003062192-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-31 WO disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO disclosed