SCHEMBL5379002

SCHEMBL5379002

CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2cccc(C3(C(=O)O)CC3)c2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.73
CTSL P07711 4/20 0.68
CTSV O60911 1/20 0.68
CTSB P07858 1/20 0.68
CTSS P25774 1/20 0.68
CTSF Q9UBX1 1/20 0.68

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
SCHEMBL5373391 0.92 CTSK (0.85) CTSKCTSLCTSVCTSBCTSS
SCHEMBL5742250 0.89 CTSK (0.85) CTSKCTSLCTSVCTSBCTSS
SCHEMBL8296643 0.88 CTSK (0.58) CTSKCTSLCTSVCTSBCTSS
SCHEMBL2155575 0.85 CTSK (0.75) CTSKCTSLCTSVCTSBCTSS
SCHEMBL2156371 0.85 CTSK (0.85) CTSKCTSLCTSVCTSBCTSS
SCHEMBL14337583 0.85 CTSK (0.73) CTSKCTSLCTSVCTSBCTSS
Bicarbonate SCHEMBL15752120 0.84 CTSK (0.69) CTSKCTSLCTSVCTSBCTSS
SCHEMBL2156489 0.84 CTSK (0.82) CTSKCTSLCTSVCTSBCTSS
SCHEMBL2155588 0.84 CTSK (0.82) CTSKCTSLCTSVCTSBCTSS
SCHEMBL4992553 0.84 CTSK (0.82) CTSKCTSLCTSVCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673336-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2014-06-04 EP claimed
US-7312353-B2 Cathespin cysteine protease inhibitors MERCK FROST CANADA & CO. (CA) 2007-12-25 US claimed
US-20060287373-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-12-21 US claimed
EP-1673336-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2014-06-04 EP disclosed
US-20130123481-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF modeRNA Therapeutics (US) 2013-05-16 US disclosed
US-7312353-B2 Cathespin cysteine protease inhibitors MERCK FROST CANADA & CO. (CA) 2007-12-25 US disclosed
US-7312353-B2 Cathespin cysteine protease inhibitors MERCK FROST CANADA & CO. (CA) 2007-12-25 US disclosed
US-20060287373-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-12-21 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 (2 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-20130123481-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ADAR, NT5C3B, NSUN2 CTSK 1815/4885CTSL 1564/4885CTSV 2412/4885
US-20060287373-A1 Cathepsin cysteine protease inhibitors CTSE, CTSS, CTSB CTSK 5/4885CTSL 9/4885CTSV 7/4885

“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.