SCHEMBL5461192

SCHEMBL5461192

CCC(NC(=O)[C@@H](CC1CCCCC1)NC(=NS(C)(=O)=O)N1CCCC1)C(O)c1nc2ccccc2o1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.40
CTSL P07711 4/20 0.40
F2RL1 P55085 3/20 0.36
CTSK P43235 2/20 0.35
CTSB P07858 1/20 0.35
REN P00797 4/20 0.35
CTSD P07339 3/20 0.35
PGA5 P0DJD9 3/20 0.35
CTSE P14091 3/20 0.35

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
SCHEMBL5461194 1.00 CTSS (0.40) CTSSCTSLF2RL1CTSKCTSB
SCHEMBL5471927 1.00 CTSS (0.40) CTSSCTSLF2RL1CTSKCTSB
SCHEMBL5945985 0.89 CTSS (0.40) CTSSCTSLF2RL1CTSKCTSB
SCHEMBL5945990 0.89 CTSS (0.40) CTSSCTSLF2RL1CTSKCTSB
SCHEMBL5946006 0.87 CTSS (0.39) CTSSCTSLCTSKCTSBREN
SCHEMBL5946001 0.87 CTSS (0.39) CTSSCTSLCTSKCTSBREN
SCHEMBL5480069 0.87 CTSS (0.40) CTSSCTSLCTSKCTSBREN
SCHEMBL5480075 0.87 CTSS (0.40) CTSSCTSLCTSKCTSBREN
SCHEMBL8285374 0.85 CTSS (0.51) CTSS
SCHEMBL5472120 0.85 CTSS (0.51) CTSS

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-20070105892-A1 Amidino compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-05-10 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-20070105892-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS CTSS 3/4885CTSL 9/4885F2RL1 92/4885

“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.