SCHEMBL3019322

SCHEMBL3019322

CCC(O)(CCC(=O)OC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
KMT2A Q03164 7/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.35
RECQL P46063 2/20 0.35
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 3/20 0.34
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MGAM O43451 2/20 0.33
GAA P10253 2/20 0.33
SI P14410 2/20 0.33

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
SCHEMBL15005669 0.82 GAA (0.46) TSHRALDH1A1LMNAHSD17B10CYP1A2
SCHEMBL9751561 0.79 ALDH1A1 (0.54) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL3015419 0.75 ALDH1A1 (0.36) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL11619348 0.74 TSHR (0.55) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL380063 0.73 ALDH1A1 (0.42) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL6912305 0.73 ALDH1A1 (0.42) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL27994582 0.73 TSHR (0.60) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL3177122 0.72 TSHR (0.52) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL10681064 0.72 TSHR (0.52) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL283370 0.72

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 7 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
EP-1877141-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA Biomac Privatinstitut für medizinische und Zahnmedizinische Forschung, Entwicklung und Diagnostik GmbH (DE) 2008-01-16 EP disclosed
WO-2006108680-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST PROTOZOA AND HELMINTHES BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed
WO-2006108681-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 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 (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 4035/4885KMT2A 1654/4885MEN1 1299/4885
US-20100204161-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use Against Bacteria GLO1, G6PD, GRHPR TSHR 2605/4885KMT2A 2012/4885MEN1 1830/4885

“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.