Sugi Predict

Sugi Predict / Compounds / SCHEMBL6404949

SCHEMBL6404949

SCHEMBL6404949

CC(C)C[C@H](N)C(=O)NC1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 16/20 0.50
▸ CTSL P07711 6/20 0.46
▸ CTSS P25774 6/20 0.46
▸ CTSB P07858 2/20 0.46
▸ CTSV O60911 1/20 0.46
▸ CACNA1B Q00975 2/20 0.42
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL7041672 0.91 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5093142 0.91 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5098745 0.91 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4766756 0.91 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092914 0.90 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5106033 0.88 CTSK (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099276 0.87 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096605 0.84 CTSK (0.50) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096440 0.84 CACNA1B (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092872 0.84 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV

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 7 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
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-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

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.