Methylglyoxal

Methylglyoxal

SCHEMBL2956982

CC(=O)C=O.CC(O)N(N)c1ccccc1C(=O)NN.CC(O)N(N)c1ccccc1C(=O)NN

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 4/20 0.36
P2RX7 Q99572 1/20 0.36
KDM4E B2RXH2 4/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
MITF O75030 1/20 0.34
NCOA1 Q15788 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 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
Methylglyoxal SCHEMBL8854695 0.86 PTPN1 (0.41) CA1CA2CA9ALDH1A1KDM4E
Methylglyoxal SCHEMBL6452706 0.75 CTSD (0.38) CTSDMEN1KMT2ACA1CA2
SCHEMBL961664 0.75 CTSD (0.50) CTSDMEN1KMT2ACA1CA2
Methylglyoxal SCHEMBL2950078 0.73 CTSD (0.49) CTSDMEN1KMT2ACA1CA2
Methylglyoxal SCHEMBL3950700 0.73 CTSD (0.40) CTSDMEN1KMT2ACA1CA2
Methylglyoxal SCHEMBL8854728 0.72 CTSD (0.47) CTSDMEN1KMT2ACA1CA2
SCHEMBL962276 0.71 ALDH1A1 (0.62) CTSDMEN1KMT2ACA1CA2
SCHEMBL959111 0.69 CTSD (0.47) CTSDMEN1KMT2ACA1CA2
SCHEMBL959908 0.68 CTSD (0.50) CTSDMEN1KMT2ACA1CA2
SCHEMBL10921933 0.68 CTSD (0.49) CTSDMEN1KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin DYNAMIS THERAPEUTICS, INC. 2007-03-22 US claimed
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. 2005-07-21 US claimed
US-20030219440-A1 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. 2003-11-27 US claimed
US-5661139-A FOR INHIBITING GLYCOSYLATION OF PROTEINS TO PREVENT DISCOLORATION OF THE TEETH ALTEON INC. (US) 1997-08-26 US claimed
WO-1996040622-A1 BIS-(2-ARYL)HYDRAZONES AS INHIBITORS OF THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC. (US) 1996-12-19 WO claimed
US-20100310482-A1 3-Deoxyglucosone And Skin DYNAMIS THERAPEUTICS, INC. (US) 2010-12-09 US disclosed
US-7749503-B2 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2010-07-06 US disclosed
US-7671019-B2 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. (US) 2010-03-02 US disclosed
US-7622117-B2 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
US-20080292568-A1 3-Deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2008-11-27 US disclosed
US-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin DYNAMIS THERAPEUTICS, INC. 2007-03-22 US disclosed
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof BROWN TRUMAN R 2006-04-27 US disclosed
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. 2005-07-21 US disclosed
US-20030219440-A1 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. 2003-11-27 US disclosed
US-5661139-A FOR INHIBITING GLYCOSYLATION OF PROTEINS TO PREVENT DISCOLORATION OF THE TEETH ALTEON INC. (US) 1997-08-26 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 (6 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-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin FN3K, PDXK, COLGALT1 CTSD 1950/4885MEN1 1069/4885KMT2A 2468/4885
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof ALDOA, FBP1, GYS2 CTSD 3411/4885MEN1 1158/4885KMT2A 2155/4885
US-20100310482-A1 3-Deoxyglucosone And Skin DPM1, G6PD, UGGT1 CTSD 2092/4885MEN1 1559/4885KMT2A 3495/4885
US-20080292568-A1 3-Deoxyglucosone and skin DPM1, G6PD, UGGT1 CTSD 2092/4885MEN1 1559/4885KMT2A 3495/4885
US-20030219440-A1 3-deoxyglucosone and skin DPM1, G6PD, UGGT1 CTSD 2092/4885MEN1 1559/4885KMT2A 3495/4885
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) AGER, GLA, GALE CTSD 428/4885MEN1 3627/4885KMT2A 2646/4885

“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.