SCHEMBL6405564

SCHEMBL6405564

CC(C)C[C@H](N)C(=O)NC1CCCNCC1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.43
MMP3 P08254 2/20 0.41
CTSK P43235 3/20 0.41
MMP2 P08253 1/20 0.41
MMP7 P09237 1/20 0.41
MMP8 P22894 1/20 0.41
ARG1 P05089 3/20 0.37
ARG2 P78540 2/20 0.37
CCR2 P41597 2/20 0.36

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
SCHEMBL7523273 0.77 CTSK (0.47) CTSK
SCHEMBL7372465 0.77 MMP1 (0.66) MMP1MMP3MMP2MMP7MMP8
SCHEMBL7442268 0.76 CTSK (0.46) MMP1MMP3CTSK
SCHEMBL4078143 0.76 ARG1 (0.47) MMP1ARG1ARG2
SCHEMBL5099315 0.74 ARG1 (0.43) MMP1MMP3ARG1ARG2
SCHEMBL14524648 0.74 CCR2 (0.41) CTSKCCR2
SCHEMBL5099276 0.73 CTSK (0.46) CTSK
SCHEMBL5092872 0.72 CTSK (0.44) CTSK
SCHEMBL5099694 0.72 CTSK (0.41) MMP1MMP3CTSK
SCHEMBL6391927 0.71 CTSK (0.36) MMP1MMP3CTSKMMP2

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
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
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP 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
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 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 MMP1 16/4885MMP3 5/4885CTSK 1/4885
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 MMP1 12/4885MMP3 17/4885CTSK 1/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ MMP1 16/4885MMP3 5/4885CTSK 1/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ MMP1 16/4885MMP3 5/4885CTSK 1/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ MMP1 16/4885MMP3 5/4885CTSK 1/4885

“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.