SCHEMBL5098711

SCHEMBL5098711

CC(C)C[C@H](N)C(=O)NC1CCCN(C(=O)Cc2cccc(-c3ccccn3)c2)CC1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.64
CTSL P07711 3/20 0.48
CTSB P07858 2/20 0.48
CTSS P25774 2/20 0.48
POLB P06746 1/20 0.39
LARS1 Q9P2J5 4/20 0.37
MAP3K12 Q12852 1/20 0.37
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
KDM3A Q9Y4C1 1/20 0.37
CACNA1B Q00975 1/20 0.36
TP53BP1 Q12888 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
BRD4 O60885 1/20 0.35
EP300 Q09472 1/20 0.35
CREBBP Q92793 1/20 0.35
PDE2A O00408 1/20 0.35

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
SCHEMBL6404534 1.00 CTSK (0.64) CTSKCTSLCTSBCTSSPOLB
SCHEMBL7429714 0.91 CTSK (0.64) CTSKCTSLCTSBCTSSPOLB
SCHEMBL5092507 0.86 CTSK (0.52) CTSKCTSLCTSBCTSSLARS1
SCHEMBL5092514 0.86 CTSK (0.52) CTSKCTSLCTSBCTSSLARS1
SCHEMBL4689761 0.86 CTSK (0.63) CTSKCTSLCTSBCTSS
SCHEMBL4689758 0.86 CTSK (0.63) CTSKCTSLCTSBCTSS
SCHEMBL7037376 0.86 CTSK (0.63) CTSKCTSLCTSBCTSS
SCHEMBL4764918 0.85 CTSK (0.64) CTSKCTSLCTSBCTSS
SCHEMBL20915172 0.85 CTSK (0.64) CTSKCTSLCTSBCTSS
SCHEMBL3046987 0.85 CTSK (0.64) CTSKCTSLCTSBCTSS

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 10 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-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP 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
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 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 1/4885CTSL 25/4885CTSB 15/4885
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 19/4885CTSB 13/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885CTSL 25/4885CTSB 15/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885CTSL 25/4885CTSB 15/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885CTSL 25/4885CTSB 15/4885

“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.