SCHEMBL5516640

SCHEMBL5516640

CC(C)C[C@H](OC(c1ccccc1)c1ccc(-c2cnccn2)cc1)C(=O)NCC#N

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.52
CTSK P43235 12/20 0.52
CTSS P25774 10/20 0.48
CTSB P07858 8/20 0.46
HDAC4 P56524 1/20 0.41

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
SCHEMBL5511107 0.89 CTSL (0.64) CTSLCTSKCTSSCTSB
SCHEMBL5509585 0.87 CTSK (0.62) CTSLCTSKCTSSCTSB
SCHEMBL5509590 0.87 CTSK (0.62) CTSLCTSKCTSSCTSB
SCHEMBL5516794 0.86 CTSK (0.61) CTSLCTSKCTSSCTSB
SCHEMBL5514720 0.86 CTSK (0.61) CTSLCTSKCTSSCTSB
SCHEMBL5518307 0.86 CTSK (0.61) CTSLCTSKCTSSCTSB
SCHEMBL5516415 0.86 CTSK (0.61) CTSLCTSKCTSSCTSB
SCHEMBL5513795 0.85 CTSK (0.59) CTSLCTSKCTSSCTSB
SCHEMBL5526722 0.85 CTSK (0.52) CTSLCTSKCTSSCTSB
SCHEMBL5513803 0.84 CTSK (0.59) 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 8 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
EP-1537074-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-06-08 EP claimed
WO-2004022526-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-03-18 WO 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
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 CTSL 8/4885CTSK 3/4885CTSS 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.