SCHEMBL12679261

SCHEMBL12679261

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

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSB P07858 9/20 0.72
CTSL P07711 9/20 0.72
CTSF Q9UBX1 6/20 0.72
CTSK P43235 15/20 0.67
CTSS P25774 6/20 0.66
CTSV O60911 1/20 0.66

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
SCHEMBL3265273 0.91 CTSB (0.75) CTSBCTSLCTSFCTSKCTSS
SCHEMBL2848882 0.91 CTSB (0.75) CTSBCTSLCTSFCTSKCTSS
SCHEMBL2927805 0.91 CTSB (0.75) CTSBCTSLCTSFCTSKCTSS
SCHEMBL3757063 0.91 CTSB (0.75) CTSBCTSLCTSFCTSKCTSS
SCHEMBL8121829 0.89 CTSK (0.71) CTSBCTSLCTSFCTSKCTSS
SCHEMBL16377162 0.87 CTSB (0.68) CTSBCTSLCTSFCTSKCTSS
SCHEMBL15827398 0.87 CTSB (0.68) CTSBCTSLCTSFCTSKCTSS
SCHEMBL22733992 0.84 CTSB (0.81) CTSBCTSLCTSFCTSKCTSS
SCHEMBL22733994 0.84 CTSB (0.81) CTSBCTSLCTSFCTSKCTSS
SCHEMBL22733935 0.84 CTSB (1.00) CTSBCTSLCTSFCTSKCTSS

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-8273913-B2 Amidation process for the preparation of cathepsin K inhibitors MERCK CANADA INC. (CA) 2012-09-25 US disclosed
US-20100130782-A1 AMIDATION PROCESS FOR THE PREPARATION OF CATHEPSIN K INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-05-27 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-20100130782-A1 AMIDATION PROCESS FOR THE PREPARATION OF CATHEPSIN K INHIBITORS CTSK, CTSB, CTSF CTSB 2/4885CTSL 11/4885CTSF 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.