SCHEMBL4770883

SCHEMBL4770883

CC(C)CC(NC(=O)NCc1ccccc1)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 0.79
ALDH1A1 P00352 3/20 0.77
LMNA P02545 1/20 0.77
ATM Q13315 2/20 0.64
CTSL P07711 1/20 0.64
CTSB P07858 1/20 0.64
CTSS P25774 1/20 0.64
CTSK P43235 1/20 0.64
PSMB5 P28074 1/20 0.62
MAPT P10636 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL4770866 1.00 ANPEP (0.79) ANPEPALDH1A1LMNAATMCTSL
SCHEMBL4139513 0.88 ANPEP (0.75) ANPEPALDH1A1LMNAATMCTSL
SCHEMBL5869443 0.87 ATM (0.75) ANPEPALDH1A1LMNAATMCTSL
SCHEMBL8248836 0.87 ATM (0.75) ANPEPALDH1A1LMNAATMCTSL
SCHEMBL5870044 0.85 ANPEP (0.80) ANPEPALDH1A1LMNAPSMB5MAPT
SCHEMBL8255279 0.85 ANPEP (0.80) ANPEPALDH1A1LMNAPSMB5MAPT
SCHEMBL13700588 0.83 FOLH1 (0.78) ALDH1A1LMNA
SCHEMBL28839600 0.83 ALDH1A1 (0.65) ANPEPALDH1A1LMNAATMMAPT
SCHEMBL8022139 0.83 ALDH1A1 (0.83) ANPEPALDH1A1LMNAATMPSMB5
SCHEMBL2563448 0.83 ALDH1A1 (0.83) ANPEPALDH1A1LMNAATMPSMB5

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 35 patents — showing the first 20. 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
EP-1384713-A1 4-amino-azepan-3-one derivatives as protease inhibitors SmithKline Beecham Corporation (US) 2004-01-28 EP 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-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US claimed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed
WO-2024043313-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, MICROENCAPSULATED PIGMENT USING SAID REVERSIBLE THERMOCHROMIC COMPOSITION, WRITING TOOL, AND TOY 三菱ケミカル株式会社 2024-02-29 WO disclosed
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 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
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 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-5246960-A Used to treat obesity, hyperlipaemia, atherosclerosis and arteriosclerosis HOFFMANN-LA ROCHE INC. (US) 1993-09-21 US disclosed
US-5175186-A Inhibits pancreas lepase and useful agent in treatment of obesity, hyperlipemia, atherosclerosis and arteriosclerosis HOFFMANN-LA ROCHE INC. (US) 1992-12-29 US disclosed
EP-0185359-B1 OXETANONE F. HOFFMANN-LA ROCHE AG (CH) 1991-12-04 EP disclosed
US-4931463-A PANCREAS LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1990-06-05 US disclosed
EP-0185359-A2 Oxetanone F. HOFFMANN-LA ROCHE AG (CH) 1986-06-25 EP 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 (6 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 ANPEP 78/4885ALDH1A1 3651/4885LMNA 2800/4885
US-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP ANPEP 3/4885ALDH1A1 1483/4885LMNA 3319/4885
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 ANPEP 223/4885ALDH1A1 3117/4885LMNA 3527/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ ANPEP 78/4885ALDH1A1 3651/4885LMNA 2800/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ ANPEP 78/4885ALDH1A1 3651/4885LMNA 2800/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ ANPEP 78/4885ALDH1A1 3651/4885LMNA 2800/4885

“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.