SCHEMBL5099617

SCHEMBL5099617

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.42
TSHR P16473 3/20 0.40
CTSL P07711 6/20 0.38
CTSS P25774 6/20 0.38
CTSB P07858 2/20 0.37
CTSV O60911 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL5099529 0.92 CTSK (0.37) CTSKTSHRCTSLCTSSCTSB
SCHEMBL5099273 0.89 CTSK (0.40) CTSKTSHRCTSLCTSSCTSB
SCHEMBL5099215 0.88 KMT2A (0.41) CTSKTSHRCTSLCTSSALDH1A1
SCHEMBL5092584 0.86 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096409 0.86 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096573 0.84 EPHX2 (0.42) CTSKTSHRCTSLCTSSCTSB
SCHEMBL7434825 0.83 KMT2A (0.45) CTSKALDH1A1GAA
SCHEMBL4766701 0.83 MEN1 (0.43) CTSKCTSLCTSSCTSBGAA
SCHEMBL5093139 0.83 KMT2A (0.45) CTSKALDH1A1GAA
SCHEMBL7427478 0.83 MEN1 (0.43) CTSKCTSLCTSSCTSBGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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-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 1/4885TSHR 2596/4885CTSL 19/4885

“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.