SCHEMBL4419936

SCHEMBL4419936

CSC[C@H](N[C@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.61
CTSK P43235 12/20 0.61
CTSS P25774 11/20 0.61
CTSB P07858 10/20 0.61
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
FPR2 P25090 2/20 0.40

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
SCHEMBL2131045 1.00 CTSL (0.61) CTSLCTSKCTSSCTSBGRN
SCHEMBL2129082 0.87 CTSL (0.54) CTSLCTSKCTSSCTSBGRN
SCHEMBL2129791 0.87 CTSL (0.57) CTSLCTSKCTSSCTSBGRN
SCHEMBL6092682 0.83 CTSL (0.55) CTSLCTSKCTSSCTSBGRN
SCHEMBL1169219 0.83 CTSL (0.72) CTSLCTSKCTSSCTSBGRN
SCHEMBL2156958 0.83 CTSL (0.55) CTSLCTSKCTSSCTSBGRN
SCHEMBL2155289 0.83 CTSL (0.55) CTSLCTSKCTSSCTSBGRN
SCHEMBL4678049 0.83 CTSL (0.55) CTSLCTSKCTSSCTSBGRN
SCHEMBL3767672 0.83 CTSL (0.55) CTSLCTSKCTSSCTSBGRN
SCHEMBL4085485 0.83 CTSL (0.72) CTSLCTSKCTSSCTSBGRN

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 CTSL 10/4885CTSK 7/4885CTSS 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.