SCHEMBL8433997

SCHEMBL8433997

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

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.61
CTSL P07711 7/20 0.58
CTSB P07858 5/20 0.58
CTSF Q9UBX1 4/20 0.58
CTSV O60911 1/20 0.58
CTSS P25774 1/20 0.58

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
SCHEMBL11981467 1.00 CTSK (0.61) CTSKCTSLCTSBCTSFCTSV
SCHEMBL11981450 0.90 CTSK (0.76) CTSKCTSLCTSBCTSFCTSV
SCHEMBL11981448 0.90 CTSK (0.76) CTSKCTSLCTSBCTSFCTSV
SCHEMBL14350320 0.88 CTSK (0.66) CTSKCTSLCTSBCTSFCTSV
SCHEMBL14350242 0.88 CTSK (0.66) CTSKCTSLCTSBCTSFCTSV
SCHEMBL8117533 0.87 CTSK (0.76) CTSKCTSLCTSBCTSFCTSV
SCHEMBL8433829 0.87 CTSK (0.65) CTSKCTSLCTSBCTSFCTSV
SCHEMBL8296667 0.87 CTSK (0.60) CTSKCTSLCTSBCTSFCTSV
SCHEMBL8294938 0.87 CTSK (0.62) CTSKCTSLCTSBCTSFCTSV
SCHEMBL14494210 0.87 CTSK (0.65) CTSKCTSLCTSBCTSFCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407959-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-08-05 US disclosed
US-20060111440-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-05-25 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-20060111440-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CTSK 4/4885CTSL 8/4885CTSB 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.