SCHEMBL5092503

SCHEMBL5092503

CC(=O)CCCC(=O)NC(CC(C)C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
FOLH1 Q04609 7/20 0.50
PLA2G2A P14555 2/20 0.49
PLA2G5 P39877 2/20 0.49
MAPT P10636 1/20 0.49
GRN P28799 1/20 0.45
SORT1 Q99523 1/20 0.45
MME P08473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
LAP3 P28838 2/20 0.44
NOD1 Q9Y239 1/20 0.44

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
SCHEMBL5092487 1.00 ALDH1A1 (0.59) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL19200047 0.95 ALDH1A1 (0.58) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL15623775 0.89 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL4572547 0.88 FOLH1 (0.60) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL4027352 0.87 PLA2G2A (0.61) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL18768893 0.84 ALDH1A1 (0.43) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL26644327 0.84 ALDH1A1 (0.56) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL14637109 0.84 PLA2G2A (0.62) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL15680095 0.84 FOLH1 (0.60) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL7333737 0.83 PLA2G2A (0.69) ALDH1A1MEN1LMNAKMT2AFOLH1

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 23 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-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US claimed
CN-1350458-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2002-05-22 CN 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
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-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
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
CN-1350458-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2002-05-22 CN disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 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 ALDH1A1 3651/4885MEN1 2054/4885LMNA 2800/4885
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 ALDH1A1 3117/4885MEN1 3396/4885LMNA 3527/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ ALDH1A1 3651/4885MEN1 2054/4885LMNA 2800/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ ALDH1A1 3651/4885MEN1 2054/4885LMNA 2800/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ ALDH1A1 3651/4885MEN1 2054/4885LMNA 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.