Sugi Predict

Sugi Predict / Compounds / SCHEMBL5096433

SCHEMBL5096433

SCHEMBL5096433

CC(C[CH]C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)CC1=O)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.42
▸ CTSL P07711 5/20 0.42
▸ CTSS P25774 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CTSB P07858 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35

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
SCHEMBL5092532 0.85 CTSK (0.38) CTSKCTSLCTSSCTSB
SCHEMBL4687324 0.83 ALDH1A1 (0.41) CTSKCTSLCTSSALDH1A1ACHE
SCHEMBL4902762 0.82 RAB9A (0.41) CTSKCTSLCTSSEPHX2
SCHEMBL4767047 0.81 CTSK (0.42) CTSKCTSLCTSSLMNACTSB
SCHEMBL6594359 0.81 CTSK (0.33) CTSKCTSLCTSS
SCHEMBL5105668 0.81 PDE4B (0.39) ALDH1A1PDE4BPDE7AEPHX1HPGD
SCHEMBL5092894 0.80 CTSK (0.35) CTSKCTSLCTSSPOLBCTSB
SCHEMBL5096436 0.79 CTSK (0.54) CTSKCTSLCTSSALDH1A1CTSB
SCHEMBL5105613 0.78 ALDH1A1 (0.38) ALDH1A1HSD11B1
SCHEMBL5106030 0.78 CTSK (0.41) CTSKCTSLCTSSCTSB

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 16 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
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-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
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
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 — — EP 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 CTSK 1/4885CTSL 25/4885CTSS 10/4885
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 19/4885CTSS 4/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885CTSL 25/4885CTSS 10/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885CTSL 25/4885CTSS 10/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885CTSL 25/4885CTSS 10/4885

“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.