SCHEMBL4690697

SCHEMBL4690697

CC(C)CCC(=O)N1CCCC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(O)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.48
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CAPN1 P07384 1/20 0.40
ITGB3 P05106 7/20 0.39
ITGA2B P08514 7/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL4690689 1.00 CTSK (0.48) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL7006957 0.89 CTSK (0.52) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL5092831 0.83 CTSK (0.57) CTSKCTSLCTSSMEN1KMT2A
SCHEMBL5092818 0.83 CTSK (0.57) CTSKCTSLCTSSMEN1KMT2A
SCHEMBL5096557 0.82 CTSK (0.56) CTSKCTSLCTSSCAPN1MEN1
SCHEMBL5096549 0.82 CTSK (0.56) CTSKCTSLCTSSCAPN1MEN1
SCHEMBL6771594 0.80 CTSK (0.52) CTSKCTSLCTSSMEN1KMT2A
SCHEMBL4686405 0.80 CTSK (0.70) CTSKCTSLCTSBCTSSMAPK1
SCHEMBL4686404 0.80 CTSK (0.70) CTSKCTSLCTSBCTSSMAPK1
SCHEMBL5096430 0.80 CTSK (0.51) CTSKCTSLCTSSMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1384713-B1 4-amino-azepan-3-one derivatives as protease inhibitors SMITHKLINE BEECHAM CORP (US) 2008-10-15 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
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

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.