SCHEMBL5099185

SCHEMBL5099185

CC(C)C[C@H](NC(=O)COCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.54
ALDH1A1 P00352 1/20 0.53
LTA4H P09960 1/20 0.52
ACE P12821 1/20 0.52
CTSK P43235 2/20 0.51
FOLH1 Q04609 1/20 0.50
PTPRC P08575 1/20 0.50
PTPN1 P18031 1/20 0.50

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
SCHEMBL5099195 1.00 MME (0.54) MMEALDH1A1LTA4HACECTSK
SCHEMBL7364893 0.86 MME (0.52) MMELTA4HACECTSKFOLH1
SCHEMBL7364890 0.86 MME (0.52) MMELTA4HACECTSKFOLH1
SCHEMBL9417473 0.84 GPR34 (0.62) MMEACE
SCHEMBL85084 0.83 CAPN1 (0.52) MMEACE
SCHEMBL3301559 0.82 ALDH1A1 (0.50) ALDH1A1PTPRCPTPN1
SCHEMBL2368090 0.81 PSMB8 (0.64) MMELTA4HACEFOLH1
SCHEMBL2368096 0.81 PSMB8 (0.64) MMELTA4HACEFOLH1
SCHEMBL15251753 0.81 PSMB8 (0.64) MMELTA4HACEFOLH1
SCHEMBL4553474 0.81 FOLH1 (0.56) MMELTA4HCTSKFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 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
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
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 MME 120/4885ALDH1A1 3651/4885LTA4H 578/4885
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 MME 516/4885ALDH1A1 3117/4885LTA4H 798/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ MME 120/4885ALDH1A1 3651/4885LTA4H 578/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ MME 120/4885ALDH1A1 3651/4885LTA4H 578/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ MME 120/4885ALDH1A1 3651/4885LTA4H 578/4885

“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.