Methylglyoxal

Methylglyoxal

SCHEMBL6002250

CC(=O)C=O.Nc1nccc2ccccc12

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 3/20 0.68
PLAU P00749 2/20 0.68
NCF1 P14598 1/20 0.68
NOS3 P29474 1/20 0.68
NOS1 P29475 1/20 0.68
NOS2 P35228 1/20 0.68
BACE1 P56817 1/20 0.68
CYP2A6 P11509 1/20 0.44
ROCK1 Q13464 4/20 0.43
PLG P00747 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 4/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
F7 P08709 1/20 0.39

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
Formic Acid SCHEMBL30738145 0.86 F12 (0.78) F12PLAUNCF1NOS3NOS1
SCHEMBL49220 0.82 PLAU (1.00) F12PLAUNCF1NOS3NOS1
SCHEMBL29377365 0.82 PLAU (1.00) F12PLAUNCF1NOS3NOS1
Iodide SCHEMBL29988059 0.80 PLAU (0.95) F12PLAUNCF1NOS3NOS1
SCHEMBL28116864 0.80 PLAU (0.95) F12PLAUNCF1NOS3NOS1
Hydrochloric Acid SCHEMBL509104 0.80 PLAU (0.95) F12PLAUNCF1NOS3NOS1
Benzamide SCHEMBL19877173 0.77 PLAU (0.68) F12PLAUNCF1NOS3NOS1
SCHEMBL27593728 0.71 CNR2 (0.50) F12PLAUNCF1NOS3NOS1
Quinoline SCHEMBL28251904 0.71 NCF1 (0.75) F12PLAUNCF1NOS3NOS1
Methylglyoxal SCHEMBL6013420 0.71 NOS3 (0.68) PLAUNOS3NOS1NOS2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060258612-A1 CFTR channel modulators CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-11-16 US disclosed
EP-1678175-A2 CFTR CHANNEL MODULATORS Universite Joseph Fourier (FR) 2006-07-12 EP disclosed
WO-2005039589-A2 CFTR CHANNEL MODULATORS UNIVERSITE JOSEPH FOURIER (FR) 2005-05-06 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-20060258612-A1 CFTR channel modulators CFTR, SCNN1B, SCNN1A F12 937/4885PLAU 4539/4885NCF1 3224/4885

“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.