SCHEMBL4992545

SCHEMBL4992545

CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc([C@](O)(CO)C(F)F)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.80
CTSL P07711 4/20 0.70
CTSB P07858 2/20 0.70
CTSS P25774 2/20 0.70
CTSV O60911 1/20 0.70
CTSF Q9UBX1 1/20 0.70

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
SCHEMBL4988039 1.00 CTSK (0.80) CTSKCTSLCTSBCTSSCTSV
SCHEMBL4991310 1.00 CTSK (0.80) CTSKCTSLCTSBCTSSCTSV
SCHEMBL4986262 0.90 CTSK (0.84) CTSKCTSLCTSBCTSSCTSV
SCHEMBL4990853 0.90 CTSK (0.84) CTSKCTSLCTSBCTSSCTSV
SCHEMBL4990859 0.90 CTSK (0.84) CTSKCTSLCTSBCTSSCTSV
SCHEMBL4980915 0.90 CTSK (0.84) CTSKCTSLCTSBCTSSCTSV
SCHEMBL2156973 0.89 CTSK (1.00) CTSKCTSLCTSBCTSSCTSV
SCHEMBL4985692 0.88 CTSK (0.86) CTSKCTSLCTSBCTSSCTSV
SCHEMBL4988238 0.88 CTSK (0.86) CTSKCTSLCTSBCTSSCTSV
SCHEMBL14493898 0.88 CTSK (0.61) CTSKCTSLCTSBCTSSCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817276-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2012-08-08 EP claimed
US-7407959-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-08-05 US claimed
US-20070293578-A1 Cathepsin Cysteine Protease Inhibitors GAUTHIER JACQUES Y 2007-12-20 US claimed
US-20060111440-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-05-25 US claimed
EP-1817276-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2012-08-08 EP disclosed
US-7407959-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-08-05 US disclosed
US-7407959-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-08-05 US disclosed
US-7407959-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-08-05 US disclosed
US-20070293578-A1 Cathepsin Cysteine Protease Inhibitors GAUTHIER JACQUES Y 2007-12-20 US disclosed
US-20070293578-A1 Cathepsin Cysteine Protease Inhibitors GAUTHIER JACQUES Y 2007-12-20 US disclosed
US-20070293578-A1 Cathepsin Cysteine Protease Inhibitors GAUTHIER JACQUES Y 2007-12-20 US disclosed
US-20060111440-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-05-25 US disclosed
US-20060111440-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-05-25 US disclosed
US-20060111440-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-05-25 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-20060111440-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CTSK 4/4885CTSL 8/4885CTSB 1/4885
US-20070293578-A1 Cathepsin Cysteine Protease Inhibitors CTSB, CTSS, CTSE CTSK 7/4885CTSL 10/4885CTSB 1/4885

“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.