SCHEMBL3679022

SCHEMBL3679022

CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(C3(C(=O)NC4CC4)CC3)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.72
CTSK P43235 11/20 0.70
CTSS P25774 3/20 0.67
CTSB P07858 2/20 0.67

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
SCHEMBL3682305 0.90 CTSK (0.77) CTSLCTSKCTSSCTSB
SCHEMBL3681981 0.89 CTSK (0.67) CTSLCTSKCTSSCTSB
SCHEMBL8236603 0.88 CTSL (0.54) CTSLCTSKCTSSCTSB
SCHEMBL5384933 0.88 CTSL (0.82) CTSLCTSKCTSSCTSB
SCHEMBL3674824 0.87 CTSK (0.72) CTSLCTSKCTSSCTSB
SCHEMBL2156165 0.84 CTSL (1.00) CTSLCTSKCTSSCTSB
SCHEMBL2157209 0.83 CTSK (0.87) CTSLCTSKCTSSCTSB
SCHEMBL3681083 0.83 CTSK (0.80) CTSLCTSKCTSSCTSB
Bicarbonate SCHEMBL15752090 0.82 CTSL (0.81) CTSLCTSKCTSSCTSB
SCHEMBL3678835 0.82 CTSK (0.80) CTSLCTSKCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694647-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2016-11-09 EP claimed
US-7687524-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2010-03-30 US claimed
US-20090264479-A1 Papain Family Cysteine Protease Inhibitors for the Treatment of Parasitic Diseases MERCK FROSST CANADA LTD. (CA) 2009-10-22 US claimed
US-20070099893-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2007-05-03 US claimed
EP-1694647-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2016-11-09 EP disclosed
US-7687524-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2010-03-30 US disclosed
US-20090264479-A1 Papain Family Cysteine Protease Inhibitors for the Treatment of Parasitic Diseases MERCK FROSST CANADA LTD. (CA) 2009-10-22 US disclosed
US-20090264479-A1 Papain Family Cysteine Protease Inhibitors for the Treatment of Parasitic Diseases MERCK FROSST CANADA LTD. (CA) 2009-10-22 US disclosed
US-20090264479-A1 Papain Family Cysteine Protease Inhibitors for the Treatment of Parasitic Diseases MERCK FROSST CANADA LTD. (CA) 2009-10-22 US disclosed
US-20070099893-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2007-05-03 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-20090264479-A1 Papain Family Cysteine Protease Inhibitors for the Treatment of Parasitic Diseases CTSL, CSTB, PREP CTSL 1/4885CTSK 54/4885CTSS 11/4885
US-20070099893-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CTSL 8/4885CTSK 4/4885CTSS 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.