SCHEMBL4686404

SCHEMBL4686404

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCN(C(=O)OCc2ccccc2)CC1O

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.70
CTSL P07711 8/20 0.57
CTSS P25774 6/20 0.57
CTSB P07858 3/20 0.52
MAPK1 P28482 1/20 0.50

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
SCHEMBL4686405 1.00 CTSK (0.70) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL6580495 0.95 CTSK (0.77) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL27570487 0.94 CTSK (0.75) CTSKCTSLCTSSCTSB
SCHEMBL6697386 0.92 CTSK (0.57) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL6697388 0.92 CTSK (0.57) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL6582059 0.91 CTSK (0.76) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL27570516 0.90 CTSK (0.58) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL5983052 0.90 CTSK (0.57) CTSKCTSLCTSSCTSB
SCHEMBL5105237 0.90 CTSK (0.57) CTSKCTSLCTSS
SCHEMBL5983043 0.90 CTSK (0.57) CTSKCTSLCTSSCTSB

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1384713-B1 4-amino-azepan-3-one derivatives as protease inhibitors SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP disclosed
US-7405209-B2 e.g. 2-Benzyloxycarbonylamino-4-methyl-pentanoyl)-3-oxo-azepan-4-ylcarbamoyl}carbamic acid benzyl ester; protease inhibitors like cathepsin K; osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION (US) 2008-07-29 US disclosed
EP-1303281-A4 METHODS OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2006-02-15 EP disclosed
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION 2005-11-17 US disclosed
US-20040229863-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-11-18 US disclosed
EP-1231921-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-23 EP disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
US-20040034013-A1 Administering (3-oxo-azepan-4-ylcarbamoyl)-alkyl)amide derivatives to treat cancer metastasis, diseases caused by tissue destruction by lung macrophase, and by positive selection of CD4\"T\" cells by cortical thymic epithelial cells SMITHKLINE BEECHAM CORPORATION 2004-02-19 US disclosed
EP-1384713-A1 4-amino-azepan-3-one derivatives as protease inhibitors SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
EP-1231921-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
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO 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-2001089451-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO disclosed
WO-2001078734-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 WO disclosed
WO-2001034155-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2001034158-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040034013-A1 Administering (3-oxo-azepan-4-ylcarbamoyl)-alkyl)amide derivatives to treat cancer metastasis, diseases caused by tissue destruction by lung macrophase, and by positive selection of CD4\"T\" cells by cortical thymic epithelial cells CTSE, CTSZ, CTSS CTSK 10/4885CTSL 5/4885CTSS 3/4885
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation CTSK, CTSZ, CTSE CTSK 1/4885CTSL 19/4885CTSS 4/4885
US-20040229863-A1 Protease inhibitors CTSS, CTSE, CTSF CTSK 6/4885CTSL 24/4885CTSS 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.