SCHEMBL5509541

SCHEMBL5509541

CC(C)C[C@H](O[C@H](c1ccccc1)c1ccc(-c2cc[n+]([O-])cc2)cc1)C(=O)NCC#N

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.58
CTSS P25774 13/20 0.58
CTSL P07711 12/20 0.52
CTSB P07858 9/20 0.51

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
SCHEMBL5510999 0.93 CTSK (0.53) CTSKCTSSCTSLCTSB
SCHEMBL5513770 0.90 CTSK (0.55) CTSKCTSSCTSLCTSB
SCHEMBL5511018 0.89 CTSK (0.51) CTSKCTSSCTSLCTSB
SCHEMBL5514794 0.89 CTSK (0.63) CTSKCTSSCTSLCTSB
SCHEMBL5516083 0.89 CTSK (0.63) CTSKCTSSCTSLCTSB
SCHEMBL5520700 0.88 CTSK (0.60) CTSKCTSSCTSLCTSB
SCHEMBL5514720 0.88 CTSK (0.61) CTSKCTSSCTSLCTSB
SCHEMBL5518307 0.88 CTSK (0.61) CTSKCTSSCTSLCTSB
SCHEMBL5516794 0.88 CTSK (0.61) CTSKCTSSCTSLCTSB
SCHEMBL5516415 0.88 CTSK (0.61) CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279478-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2007-10-09 US claimed
US-7279478-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2007-10-09 US disclosed
US-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 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 (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-20060122268-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK CTSK 3/4885CTSS 2/4885CTSL 8/4885

“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.