SCHEMBL5096440

SCHEMBL5096440

CC(C)C[C@H](N)C(=O)NC1CCCN(S(=O)(=O)c2cccc(F)c2)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.51
CTSK P43235 10/20 0.47
CTSL P07711 5/20 0.47
CTSS P25774 5/20 0.47
CTSB P07858 3/20 0.47
CTSV O60911 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL5093142 0.89 CTSK (0.47) CACNA1BCTSKCTSLCTSSCTSB
SCHEMBL4766756 0.89 CTSK (0.53) CACNA1BCTSKCTSLCTSSCTSB
SCHEMBL6404949 0.84 CTSK (0.50) CACNA1BCTSKCTSLCTSSCTSB
SCHEMBL5096605 0.84 CTSK (0.50) CACNA1BCTSKCTSLCTSSCTSB
SCHEMBL5098745 0.84 CTSK (0.47) CACNA1BCTSKCTSLCTSSCTSB
SCHEMBL7041672 0.84 CTSK (0.47) CACNA1BCTSKCTSLCTSSCTSB
SCHEMBL5096578 0.83 POLB (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092886 0.82 CACNA1B (0.57) CACNA1BPOLBPKMTSHRKMT2A
SCHEMBL5092914 0.82 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096437 0.82 POLB (0.45) CACNA1BCTSKCTSLCTSSCTSB

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 14 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-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 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
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US claimed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO 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
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

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 CACNA1B 4138/4885CTSK 1/4885CTSL 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 CACNA1B 4033/4885CTSK 1/4885CTSL 19/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ CACNA1B 4138/4885CTSK 1/4885CTSL 25/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ CACNA1B 4138/4885CTSK 1/4885CTSL 25/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ CACNA1B 4138/4885CTSK 1/4885CTSL 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.