SCHEMBL5522744

SCHEMBL5522744

CC(C)C[C@H](O[C@H](c1ccccc1)c1ccc(-c2ccc(N3CCN(C)CC3)cc2)cc1)C(=O)NCC#N

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.67
CTSS P25774 16/20 0.67
CTSB P07858 14/20 0.67
CTSL P07711 13/20 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
SCHEMBL6179388 1.00 CTSK (0.67) CTSKCTSSCTSBCTSL
SCHEMBL5511031 0.92 CTSK (0.68) CTSKCTSSCTSBCTSL
SCHEMBL5512597 0.92 CTSK (0.66) CTSKCTSSCTSBCTSL
SCHEMBL6180477 0.92 CTSK (0.66) CTSKCTSSCTSBCTSL
SCHEMBL5520447 0.91 CTSS (0.66) CTSKCTSSCTSBCTSL
SCHEMBL5520489 0.91 CTSS (0.66) CTSKCTSSCTSBCTSL
SCHEMBL5526388 0.91 CTSS (0.66) CTSKCTSSCTSBCTSL
SCHEMBL5519064 0.91 CTSS (0.66) CTSKCTSSCTSBCTSL
SCHEMBL6181482 0.91 CTSS (0.66) CTSKCTSSCTSBCTSL
SCHEMBL5512818 0.90 CTSK (0.55) CTSKCTSSCTSBCTSL

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
US-7279478-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2007-10-09 US claimed
US-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 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 2/4885CTSB 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.