SCHEMBL4992329

SCHEMBL4992329

CC(C)(F)C[C@H](N)C(=O)N(C(c1ccc(Br)cc1)C(F)(F)F)C1(C#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.39
CTSB P07858 7/20 0.39
CTSS P25774 7/20 0.39
CTSL P07711 7/20 0.39
CTSV O60911 1/20 0.34
CTSF Q9UBX1 1/20 0.34
ALOX5 P09917 1/20 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
SCHEMBL2157128 1.00 CTSK (0.39) CTSKCTSBCTSSCTSLCTSV
SCHEMBL2157011 0.94 CTSK (0.39) CTSKCTSBCTSSCTSLCTSV
SCHEMBL2156815 0.94 CTSK (0.39) CTSKCTSBCTSSCTSLCTSV
SCHEMBL2155366 0.88 CTSK (0.45) CTSKCTSBCTSSCTSLCTSV
SCHEMBL2155717 0.88 CTSK (0.39) CTSKCTSBCTSSCTSLALOX5
SCHEMBL2156797 0.88 CTSK (0.41) CTSKCTSBCTSSCTSLALOX5
SCHEMBL2130993 0.88 CTSK (0.47) CTSKCTSBCTSSCTSLALOX5
SCHEMBL11898023 0.87 CTSK (0.41) CTSKCTSBCTSSCTSLCTSV
SCHEMBL2157357 0.87 CTSL (0.38) CTSKCTSBCTSSCTSLALOX5
SCHEMBL3681332 0.87 CTSK (0.36) CTSKCTSBCTSSCTSLCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1817276-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada Ltd. (CA) 2007-08-15 EP claimed
WO-2006056047-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2006-06-01 WO claimed
US-20060111440-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-05-25 US claimed
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
EP-1817276-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada Ltd. (CA) 2007-08-15 EP disclosed
WO-2006056047-A9 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2007-06-21 WO disclosed
WO-2006056047-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2006-06-01 WO 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 4/4885CTSB 1/4885CTSS 2/4885
US-20070293578-A1 Cathepsin Cysteine Protease Inhibitors CTSB, CTSS, CTSE CTSK 7/4885CTSB 1/4885CTSS 2/4885

“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.