SCHEMBL4414851

SCHEMBL4414851

C[S+]([O-])C[C@H](N)C(=O)N([C@@H](c1ccc(Br)cc1)C(F)(F)F)C1(C#N)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSB P07858 6/20 0.38
CTSS P25774 6/20 0.38
CTSK P43235 6/20 0.38
CTSL P07711 6/20 0.38
ALOX5 P09917 1/20 0.32

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
SCHEMBL2155717 0.86 CTSK (0.39) CTSBCTSSCTSKCTSLALOX5
SCHEMBL2130993 0.86 CTSK (0.47) CTSBCTSSCTSKCTSLALOX5
SCHEMBL2156815 0.86 CTSK (0.39) CTSBCTSSCTSKCTSLALOX5
SCHEMBL4992329 0.86 CTSK (0.39) CTSBCTSSCTSKCTSLALOX5
SCHEMBL2157128 0.86 CTSK (0.39) CTSBCTSSCTSKCTSLALOX5
SCHEMBL2157011 0.86 CTSK (0.39) CTSBCTSSCTSKCTSLALOX5
SCHEMBL2156797 0.86 CTSK (0.41) CTSBCTSSCTSKCTSLALOX5
SCHEMBL2157357 0.85 CTSL (0.38) CTSBCTSSCTSKCTSLALOX5
SCHEMBL2133051 0.84 CTSS (0.48) CTSBCTSSCTSKCTSLALOX5
SCHEMBL2130906 0.83 CTSL (0.40) CTSBCTSSCTSKCTSLALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270511-A1 PRODRUGS OF INHIBITORS OF CATHEPSIN S MERCK FROSST CANADA LTD. 2009-10-29 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-20090270511-A1 PRODRUGS OF INHIBITORS OF CATHEPSIN S CTSS, CTSF, CTSB CTSB 3/4885CTSS 1/4885CTSK 7/4885

“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.