SCHEMBL4791190

SCHEMBL4791190

CC(C)(C)OC(=O)NC1CCCN(C(=O)OCc2ccccc2)CC1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.54
CTSK P43235 2/20 0.50
USP30 Q70CQ3 2/20 0.47
CTSL P07711 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PARP1 P09874 1/20 0.44
CYP2C19 P33261 1/20 0.44
BCL9 O00512 2/20 0.44
CTNNB1 P35222 2/20 0.44
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
TYK2 P29597 2/20 0.43
JAK3 P52333 2/20 0.43

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
SCHEMBL14145058 1.00 PDE4B (0.54) PDE4BCTSKUSP30CTSLKMT2A
SCHEMBL14131844 1.00 PDE4B (0.54) PDE4BCTSKUSP30CTSLKMT2A
SCHEMBL27440737 0.94 CTSK (0.56) PDE4BCTSKCTSLKMT2AL3MBTL1
SCHEMBL2448494 0.94 CTSK (0.56) PDE4BCTSKCTSLKMT2AL3MBTL1
SCHEMBL3218754 0.94 CTSK (0.56) PDE4BCTSKCTSLKMT2AL3MBTL1
SCHEMBL3218744 0.94 CTSK (0.56) PDE4BCTSKCTSLKMT2AL3MBTL1
SCHEMBL3218733 0.94 CTSK (0.56) PDE4BCTSKCTSLKMT2AL3MBTL1
SCHEMBL376621 0.94 CTSK (0.56) PDE4BCTSKCTSLKMT2AL3MBTL1
SCHEMBL23938305 0.89 PDE4B (0.58) PDE4BCTSKUSP30CTSLKMT2A
SCHEMBL2517510 0.89 PDE4B (0.58) PDE4BCTSKUSP30CTSLKMT2A

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 27 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
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
EP-1401453-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-04-06 EP disclosed
US-20040229863-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-11-18 US disclosed
US-20040157828-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-08-12 US disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1401453-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 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-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
EP-1303281-A1 METHODS OF TREATMENT SmithKline Beecham Corporation (US) 2003-04-23 EP disclosed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US disclosed
EP-1278502-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-01-29 EP disclosed
WO-2002092563-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-11-21 WO disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US 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
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

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

For each of this compound's patents that has machine-readable text (6 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-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP PDE4B 1408/4885CTSK 47/4885USP30 884/4885
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 PDE4B 3236/4885CTSK 10/4885USP30 807/4885
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 PDE4B 3322/4885CTSK 1/4885USP30 2289/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ PDE4B 1707/4885CTSK 1/4885USP30 990/4885
US-20040229863-A1 Protease inhibitors CTSS, CTSE, CTSF PDE4B 3129/4885CTSK 6/4885USP30 461/4885
US-20040157828-A1 Protease inhibitors CTSK, MMP13, CTSZ PDE4B 1707/4885CTSK 1/4885USP30 990/4885

“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.