SCHEMBL5099669

SCHEMBL5099669

CCc1ccc(CN2CCCC(NC(=O)[C@@H](N)CC(C)C)C(=O)C2)o1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CTSK P43235 13/20 0.39
CTSL P07711 9/20 0.39
CTSS P25774 8/20 0.39
CTSB P07858 5/20 0.38
CTSV O60911 1/20 0.38
KDM4E B2RXH2 2/20 0.35
APP P05067 1/20 0.35
GAA P10253 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4687332 0.82 CTSK (0.51) CTSKCTSLCTSSCTSBAPP
SCHEMBL5096711 0.81 ALDH1A1 (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099657 0.81 LMNA (0.39) LMNAKDM4EGAAALDH1A1
SCHEMBL5099694 0.81 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099003 0.80 CTSK (0.43) CTSKCTSLCTSS
SCHEMBL5096736 0.79 KMT2A (0.45) CTSKCTSLCTSSALDH1A1
SCHEMBL5098972 0.79 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092925 0.78 KMT2A (0.45) LMNACTSKCTSLCTSSCTSB
SCHEMBL6405643 0.78 CTSK (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5138559 0.77 KAT2B (0.41) CTSKCTSLCTSSCTSBCTSV

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-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 claimed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US claimed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US claimed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US claimed
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
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 LMNA 2800/4885CTSK 1/4885CTSL 25/4885
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 LMNA 3527/4885CTSK 1/4885CTSL 19/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ LMNA 2800/4885CTSK 1/4885CTSL 25/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ LMNA 2800/4885CTSK 1/4885CTSL 25/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ LMNA 2800/4885CTSK 1/4885CTSL 25/4885

“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.