SCHEMBL5096427

SCHEMBL5096427

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCN(C(=O)c2ccccn2)CC1O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.51
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
MAPK1 P28482 1/20 0.42
CTSL P07711 3/20 0.41
CTSS P25774 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCKAR P32238 1/20 0.40

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
SCHEMBL5096430 1.00 CTSK (0.51) CTSKPLA2G1BATG4BMAPK1CTSL
SCHEMBL5092831 0.88 CTSK (0.57) CTSKMAPK1CTSLCTSSMEN1
SCHEMBL5092818 0.88 CTSK (0.57) CTSKMAPK1CTSLCTSSMEN1
SCHEMBL6771594 0.85 CTSK (0.52) CTSKMAPK1CTSLCTSSMEN1
SCHEMBL5096549 0.84 CTSK (0.56) CTSKMAPK1CTSLCTSSMEN1
SCHEMBL5096557 0.84 CTSK (0.56) CTSKMAPK1CTSLCTSSMEN1
SCHEMBL6740612 0.83 CTSK (0.52) CTSKCTSLCTSSKMT2A
SCHEMBL6740606 0.83 CTSK (0.52) CTSKCTSLCTSSKMT2A
SCHEMBL4689761 0.83 CTSK (0.63) CTSKMAPK1CTSLCTSSCCKAR
SCHEMBL4689758 0.83 CTSK (0.63) CTSKMAPK1CTSLCTSSCCKAR

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 7 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
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
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

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 1/4885PLA2G1B 2183/4885ATG4B 348/4885
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 1/4885PLA2G1B 2721/4885ATG4B 1020/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885PLA2G1B 2183/4885ATG4B 348/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885PLA2G1B 2183/4885ATG4B 348/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885PLA2G1B 2183/4885ATG4B 348/4885

“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.