SCHEMBL5096409

SCHEMBL5096409

CC(C)C[CH]C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.43
CTSL P07711 9/20 0.43
CTSS P25774 9/20 0.43
CTSB P07858 5/20 0.42
CTSV O60911 1/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL5106030 0.91 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7432025 0.90 ALDH1A1 (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092584 0.87 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4767334 0.87 ATM (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099617 0.86 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4686326 0.84 CTSK (0.60) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096573 0.83 EPHX2 (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7427117 0.83 MEN1 (0.52) MEN1KMT2A
SCHEMBL4766701 0.83 MEN1 (0.43) CTSKCTSLCTSSCTSBMEN1
SCHEMBL7434825 0.83 KMT2A (0.45) CTSKMEN1KMT2A

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 1/4885CTSL 19/4885CTSS 4/4885

“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.