SCHEMBL5105243

SCHEMBL5105243

CCCCC(NC(=O)OC(C)(C)C)C(=O)NC1CCCN(C(=O)OCc2ccccc2)CC1O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.57
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
KLK5 Q9Y337 3/20 0.49
KLK7 P49862 2/20 0.49
CTSL P07711 4/20 0.45
CTSS P25774 3/20 0.45

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
SCHEMBL5105237 1.00 CTSK (0.57) CTSKITGB3ITGA2BKLK5KLK7
SCHEMBL6697388 0.91 CTSK (0.57) CTSKITGB3ITGA2BCTSLCTSS
SCHEMBL6697386 0.91 CTSK (0.57) CTSKITGB3ITGA2BCTSLCTSS
SCHEMBL4686404 0.90 CTSK (0.70) CTSKCTSLCTSS
SCHEMBL4686405 0.90 CTSK (0.70) CTSKCTSLCTSS
SCHEMBL5983043 0.89 CTSK (0.57) CTSKITGB3ITGA2BKLK5KLK7
SCHEMBL5983052 0.89 CTSK (0.57) CTSKITGB3ITGA2BKLK5KLK7
SCHEMBL5099282 0.88 CTSK (0.57) CTSKITGB3ITGA2BKLK5KLK7
SCHEMBL27537673 0.88 CTSK (0.57) CTSKITGB3ITGA2BKLK5KLK7
SCHEMBL6580495 0.86 CTSK (0.77) CTSKCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1253441-C Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2006-04-26 CN 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-1384713-A1 4-amino-azepan-3-one derivatives as protease inhibitors SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US disclosed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US disclosed
CN-1444481-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2003-09-24 CN disclosed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
CN-1350458-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2002-05-22 CN disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP 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 (5 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-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885ITGB3 1328/4885ITGA2B 3309/4885
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 1/4885ITGB3 1846/4885ITGA2B 2948/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885ITGB3 1328/4885ITGA2B 3309/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885ITGB3 1328/4885ITGA2B 3309/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885ITGB3 1328/4885ITGA2B 3309/4885

“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.