SCHEMBL6001121

SCHEMBL6001121

CC(C)C[C@H](OCc1ccccc1-c1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1)C(=O)NCC#N

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSB P07858 8/20 0.53
CTSS P25774 12/20 0.51
CTSK P43235 11/20 0.51
CTSL P07711 11/20 0.48

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
SCHEMBL4699259 0.82 CTSK (0.60) CTSBCTSSCTSKCTSL
SCHEMBL6172215 0.82 CTSK (0.58) CTSBCTSSCTSKCTSL
SCHEMBL5518599 0.81 PORCN (0.46) CTSBCTSSCTSKCTSL
SCHEMBL4700947 0.81 CTSL (0.66) CTSBCTSSCTSKCTSL
SCHEMBL5514860 0.80 CTSS (0.44) CTSBCTSSCTSKCTSL
SCHEMBL5520700 0.78 CTSK (0.60) CTSBCTSSCTSKCTSL
SCHEMBL4700794 0.77 CTSS (0.62) CTSBCTSSCTSKCTSL
SCHEMBL5870638 0.77 KMT2A (0.50) CTSK
SCHEMBL6168799 0.76 CTSL (0.41) CTSBCTSSCTSKCTSL
SCHEMBL4700791 0.75 CTSS (0.45) CTSBCTSSCTSKCTSL

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-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 US claimed
EP-1537074-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-06-08 EP disclosed
WO-2004022526-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-03-18 WO 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 CTSB 1/4885CTSS 2/4885CTSK 3/4885

“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.