SCHEMBL2129082

SCHEMBL2129082

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.54
CTSS P25774 11/20 0.51
CTSK P43235 11/20 0.51
CTSB P07858 10/20 0.51
GRN P28799 1/20 0.45
SORT1 Q99523 1/20 0.45
ACE P12821 1/20 0.43

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
SCHEMBL13726336 0.88 CTSL (0.51) CTSLCTSSCTSKCTSBGRN
SCHEMBL2376013 0.88 CTSL (0.51) CTSLCTSSCTSKCTSBGRN
SCHEMBL4419936 0.87 CTSL (0.61) CTSLCTSSCTSKCTSBGRN
SCHEMBL2131045 0.87 CTSL (0.61) CTSLCTSSCTSKCTSBGRN
SCHEMBL2130836 0.87 CTSL (0.56) CTSLCTSSCTSKCTSBGRN
SCHEMBL2130840 0.87 CTSL (0.56) CTSLCTSSCTSKCTSBGRN
SCHEMBL13624191 0.83 CTSL (0.71) CTSLCTSSCTSKCTSBGRN
SCHEMBL1272546 0.82 CTSL (0.53) CTSLCTSSCTSKCTSBGRN
SCHEMBL1272545 0.82 CTSL (0.53) CTSLCTSSCTSKCTSBGRN
SCHEMBL1272910 0.82 KIF11 (0.56) CTSLCTSSCTSKCTSB

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-20120101053-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES MERCK CANADA INC. (CA) 2012-04-26 US disclosed
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 (2 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 10/4885CTSS 1/4885CTSK 7/4885
US-20120101053-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES CTSL, CTSS, CTSZ CTSL 1/4885CTSS 2/4885CTSK 14/4885

“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.