SCHEMBL6404263

SCHEMBL6404263

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N(C1CCCNCC1=O)S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.50
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
CTSL P07711 13/20 0.47
CTSS P25774 10/20 0.47
CTSB P07858 4/20 0.47
CTSV O60911 2/20 0.47

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
SCHEMBL4766721 0.89 CTSK (0.46) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4766723 0.89 CTSK (0.46) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL6591711 0.89 CTSK (0.46) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL6591709 0.89 CTSK (0.46) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4762139 0.89 CTSK (0.46) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4823328 0.89 CTSK (0.46) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4768797 0.88 CTSK (0.45) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4821292 0.88 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4763041 0.88 CTSK (0.47) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4768953 0.88 CTSK (0.45) CTSKTAS1R3TAS1R1CTSLCTSS

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 3 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-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 (3 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 1/4885TAS1R3 1703/4885TAS1R1 1423/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885TAS1R3 2506/4885TAS1R1 3023/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885TAS1R3 2506/4885TAS1R1 3023/4885

“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.