SCHEMBL2248549

SCHEMBL2248549

NNC([O-])=S.NNC([O-])=S.[S+2]

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
PTGS2 P35354 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
Potassium Ion SCHEMBL7266434 0.92
Zinc Ion SCHEMBL28517026 0.92 ALDH1A1 (0.47) ALDH1A1PTGS2HSD17B10
SCHEMBL2254322 0.77 ALDH1A1 (0.35) ALDH1A1PTGS2HSD17B10
SCHEMBL14675327 0.67 TSHR (0.50) ALDH1A1PTGS2HSD17B10
SCHEMBL30393966 0.67
SCHEMBL9178073 0.67
SCHEMBL9754796 0.66
Thiosemicarbazide SCHEMBL37070 0.64
SCHEMBL253206 0.64
SCHEMBL220407 0.64

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-20110207726-A1 Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-08-25 US disclosed
WO-2009136997-A2 INHIBITORS OF HUMAN CATHEPSIN L, CATHEPSIN B, AND CATHEPSIN S THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-11-12 WO 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-20110207726-A1 Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S CTSB, CTSS, CTSV ALDH1A1 4065/4885PTGS2 4089/4885HSD17B10 2733/4885

“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.