SCHEMBL6402786

SCHEMBL6402786

CCCC[C@@H]([C@@H](O)C(=O)Nc1ccn[nH]1)N(C(=O)O)C(c1cccc(-c2ccccc2)c1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.38
MMP2 P08253 2/20 0.35
MMP3 P08254 2/20 0.35
CTSV O60911 4/20 0.35
CTSL P07711 4/20 0.35
CTSB P07858 4/20 0.35
CTSS P25774 4/20 0.35
FFAR2 O15552 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
EGFR P00533 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
SLC5A1 P13866 2/20 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
SCHEMBL6404585 1.00 CTSK (0.38) CTSKMMP2MMP3CTSVCTSL
SCHEMBL6408856 0.84 CTSK (0.46) CTSKCTSVCTSLCTSBCTSS
SCHEMBL6408861 0.84 CTSK (0.46) CTSKCTSVCTSLCTSBCTSS
SCHEMBL6410156 0.84 CTSK (0.46) CTSKCTSVCTSLCTSBCTSS
SCHEMBL8372838 0.78 CTSK (0.47) CTSKMMP2MMP3CTSVCTSL
SCHEMBL6618414 0.78 CTSK (0.47) CTSKMMP2MMP3CTSVCTSL
SCHEMBL6406194 0.77 CTSK (0.44) CTSKCTSVCTSLCTSBCTSS
SCHEMBL6405409 0.77 CTSK (0.44) CTSKCTSVCTSLCTSBCTSS
SCHEMBL6403780 0.77 CTSK (0.44) CTSKCTSVCTSLCTSBCTSS
SCHEMBL6402794 0.77 CTSK (0.44) CTSKCTSVCTSLCTSBCTSS

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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
EP-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO 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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ CTSK 1/4885MMP2 327/4885MMP3 330/4885

“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.