SCHEMBL3012353

SCHEMBL3012353

COC(C)OC(=O)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.32
THPO P40225 1/20 0.30

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
SCHEMBL11210811 0.86 TSHR (0.39) TSHRALDH1A1
SCHEMBL137981 0.80 ALDH1A1 (0.50) TSHRALDH1A1
SCHEMBL5986436 0.79 TSHR (0.50) TSHRALDH1A1THPO
SCHEMBL9207763 0.79 ALDH1A1 (0.42) TSHRALDH1A1THPO
SCHEMBL10881898 0.78 TSHR (0.33) TSHR
SCHEMBL17489309 0.78
SCHEMBL15509039 0.78
SCHEMBL75863 0.78
SCHEMBL23161022 0.77 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL11334964 0.77 TSHR (0.31) TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874407-B1 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GMB (DE) 2015-09-09 EP disclosed
EP-1877141-B1 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA BIOMAC PRIVATINSTITUT FUER MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GM (DE) 2013-06-12 EP disclosed
US-20100204161-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use Against Bacteria BIOMAC PRIVATINSTITUT FUR MEDIZINISHE UND ZAHMEDIZ FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2010-08-12 US disclosed
US-20080300303-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use As Anti-Fungal Agents BIOMAC PRIVATINSTITUT FUER MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2008-12-04 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-20080300303-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use As Anti-Fungal Agents GLO1, G6PD, GRHPR TSHR 4035/4885ALDH1A1 492/4885THPO 2989/4885
US-20100204161-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use Against Bacteria GLO1, G6PD, GRHPR TSHR 2605/4885ALDH1A1 256/4885THPO 3175/4885

“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.