SCHEMBL6404947

SCHEMBL6404947

CC(C[CH]C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1=O)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.44
EPHX2 P34913 1/20 0.40
CTSL P07711 4/20 0.37
CTSS P25774 4/20 0.37
CTSB P07858 2/20 0.37
CTSV O60911 1/20 0.37
EPHX1 P07099 1/20 0.36
TDP1 Q9NUW8 1/20 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
SCHEMBL5098737 0.93 ALDH1A1 (0.41) CTSKEPHX2CTSLCTSSCTSB
SCHEMBL5099202 0.92 KMT2A (0.43) CTSKEPHX2
SCHEMBL4767024 0.92 MEN1 (0.40) CTSK
SCHEMBL4767047 0.92 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092584 0.91 CTSK (0.47) CTSKEPHX2CTSLCTSSCTSB
SCHEMBL6631525 0.90 TSHR (0.45) CTSKEPHX2
SCHEMBL5106030 0.88 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105882 0.88 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099273 0.88 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096603 0.85 HSD17B10 (0.45) 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 1/4885EPHX2 3535/4885CTSL 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 1/4885EPHX2 3925/4885CTSL 19/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885EPHX2 3535/4885CTSL 25/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885EPHX2 3535/4885CTSL 25/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885EPHX2 3535/4885CTSL 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.