SCHEMBL8445254

SCHEMBL8445254

NCC/C(=N\NC(N)=S)c1cccc(C(F)(F)F)c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.62
CTSB P07858 8/20 0.60
GAA P10253 1/20 0.49

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
SCHEMBL8445299 0.90 CTSL (0.66) CTSLCTSBGAA
SCHEMBL8445281 0.87 CTSL (0.60) CTSLCTSBGAA
SCHEMBL8445288 0.86 CTSL (0.82) CTSLCTSB
SCHEMBL8445297 0.84 CTSL (0.68) CTSLCTSB
SCHEMBL8445287 0.83 CTSL (0.58) CTSLCTSBGAA
SCHEMBL942218 0.81 GAA (0.73) CTSLCTSBGAA
SCHEMBL1198420 0.72 CES2 (0.60) CTSLCTSBGAA
SCHEMBL10672352 0.70 CES2 (0.62) CTSLGAA
SCHEMBL8445279 0.69 CTSL (0.65) CTSLCTSB
SCHEMBL2674247 0.69 CTSL (0.69) CTSLCTSBGAA

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-20040014801-A1 Thio semicarbazone and semicarbazone inhibitors of cysteine proteases and methods of their use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-01-22 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-20040014801-A1 Thio semicarbazone and semicarbazone inhibitors of cysteine proteases and methods of their use CTSB, CTSS, CTSL CTSL 3/4885CTSB 1/4885GAA 470/4885

“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.