SCHEMBL6409369

SCHEMBL6409369

O=C(NC(CC1CCCCC1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc[n+]2[O-])CC1=O)c1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.51
CTSS P25774 11/20 0.46
CTSL P07711 10/20 0.42
CTSB P07858 5/20 0.42
CTSV O60911 1/20 0.42
MMP13 P45452 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4824107 0.88 CTSK (0.51) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6885960 0.86 CTSK (0.59) CTSKCTSSCTSLCTSBCTSV
SCHEMBL7098735 0.86 CTSK (0.59) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6409859 0.82 CTSK (0.51) CTSKCTSSCTSLCTSBCTSV
SCHEMBL7006534 0.81 CTSK (0.52) CTSKCTSSCTSLCTSBCTSV
SCHEMBL7148228 0.81 CTSK (0.51) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4793605 0.78 CTSK (0.56) CTSKCTSSCTSLCTSBCTSV
SCHEMBL7099951 0.77 CTSK (0.51) CTSKCTSSCTSLCTSBCTSV
SCHEMBL7009562 0.77 CTSK (0.48) CTSKCTSSCTSLCTSBCTSV
SCHEMBL7103015 0.74 CTSK (0.60) CTSKCTSSCTSLCTSBCTSV

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 9 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
EP-1278502-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-05-21 EP claimed
EP-1278502-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-01-29 EP claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US claimed
WO-2001089451-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 1/4885CTSS 10/4885CTSL 25/4885
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 1/4885CTSS 4/4885CTSL 19/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885CTSS 10/4885CTSL 25/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885CTSS 10/4885CTSL 25/4885

“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.