SCHEMBL3677028

SCHEMBL3677028

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

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.68
CTSL P07711 3/20 0.54
CTSV O60911 1/20 0.54
CTSB P07858 1/20 0.54
CTSS P25774 1/20 0.54
CTSF Q9UBX1 1/20 0.54

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
SCHEMBL3678501 0.97 CTSK (0.66) CTSKCTSLCTSVCTSBCTSS
SCHEMBL3676962 0.91 CTSK (0.80) CTSKCTSLCTSVCTSBCTSS
SCHEMBL3679692 0.91 CTSK (0.66) CTSKCTSLCTSVCTSBCTSS
SCHEMBL3682305 0.90 CTSK (0.77) CTSKCTSLCTSVCTSBCTSS
SCHEMBL3684042 0.90 CTSK (0.72) CTSKCTSLCTSVCTSBCTSS
SCHEMBL3679176 0.90 CTSK (0.63) CTSKCTSLCTSVCTSBCTSS
SCHEMBL3682695 0.90 CTSK (0.71) CTSKCTSLCTSVCTSBCTSS
SCHEMBL3682575 0.89 CTSK (0.66) CTSKCTSLCTSVCTSBCTSS
SCHEMBL3681981 0.89 CTSK (0.67) CTSKCTSLCTSBCTSS
SCHEMBL3674033 0.89 CTSK (0.70) 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 4 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-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

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-20070099893-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CTSK 4/4885CTSL 8/4885CTSV 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.