SCHEMBL3761208

SCHEMBL3761208

OCc1cnc(CO)c(O)c1CO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDXK O00764 3/20 0.62
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 2/20 0.62
HPGD P15428 2/20 0.62
HSD17B10 Q99714 1/20 0.62
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AOX1 Q06278 1/20 0.38
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
DPP4 P27487 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
ERBB2 P04626 1/20 0.30
PIM1 P11309 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
Hydrochloric Acid SCHEMBL11700751 0.98 ALDH1A1 (0.60) PDXKALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2909398 0.86 PDXK (0.61) PDXKALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4016022 0.86 KDM4E (0.61) PDXKALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1645737 0.86 PDXK (0.56) PDXKALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11449347 0.81 KDM4E (0.56) PDXKALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4558720 0.81 PDXK (0.51) PDXKALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3900653 0.80 PDXK (0.50) PDXKALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5500541 0.79 PDXK (0.49) PDXKALDH1A1KDM4EHPGDHSD17B10
Sulfuric Acid SCHEMBL10628805 0.79 LMNA (0.49) PDXKALDH1A1KDM4EHPGDHSD17B10
Pyridoxine SCHEMBL2322958 0.77 HPGD (1.00) PDXKALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431712-B2 Methods for the synthesis of pyridoxamine NEPHROGENEX, INC. (US) 2013-04-30 US disclosed
US-20100305162-A1 Methods for the Synthesis of Pyridoxamine NEPHROGENEX, INC 2010-12-02 US disclosed
US-20070161678-A1 Methods for the synthesis of pyridoxamine BIOSTRATUM, INC. 2007-07-12 US disclosed
US-7214799-B2 Methods for the synthesis of pyridoxamine BIOSTRATUM, INC. (US) 2007-05-08 US disclosed
US-7147859-B2 Application of phytosterols (and their isomers), folic acid, cyanocobalamin and pyridoxin in dietetic (alimentary) fibers LABORATORIOS BIOSINTETICA LTDA. (BR) 2006-12-12 US disclosed
US-20060039932-A1 Application of phytosteroids (and isomers thereof), folic acid, cyanocobalamine and pyridoxine in dietetic (alimentary) fibers LABORATORIOS BIOSINTETICA LTDA. (BR) 2006-02-23 US disclosed
CN-1715413-A Corynebacterium glutamicum genes encoding metabolic pathway proteins BASF AG (DE) 2006-01-04 CN disclosed
US-20050272781-A1 Methods for the synthesis of pyridoxamine PRAETEGO, INC. 2005-12-08 US disclosed
WO-2005077902-A2 METHODS FOR THE SYNTHESIS OF PYRIDOXAMINE BIOSTRATUM, INC. (US) 2005-08-25 WO disclosed
US-20030133965-A1 Application of phytosterols (and their isomers), folic acid, cyanocobalamin and pyridoxin in dietetic (alimentary) fibers LABORATORIOS BIOSINTETICA LTDA. (BR) 2003-07-17 US disclosed
US-20020018811-A1 Application of phytosteroids(and isomers thereof), folic acid, cyanocobalamine and pyridoxine in dietetic (alimentary) fibers LABORATORIOS BIOSINTETICA LTDA. (BR) 2002-02-14 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-20050272781-A1 Methods for the synthesis of pyridoxamine AGER, PDXK, PNPO PDXK 2/4885ALDH1A1 341/4885KDM4E 239/4885
US-20100305162-A1 Methods for the Synthesis of Pyridoxamine AGER, PDXK, PNPO PDXK 2/4885ALDH1A1 356/4885KDM4E 214/4885
US-20020018811-A1 Application of phytosteroids(and isomers thereof), folic acid, cyanocobalamine and pyridoxine in dietetic (alimentary) fibers PLPBP, FOLR2, FOLR1 PDXK 70/4885ALDH1A1 1896/4885KDM4E 3645/4885
US-20060039932-A1 Application of phytosteroids (and isomers thereof), folic acid, cyanocobalamine and pyridoxine in dietetic (alimentary) fibers PLPBP, FOLR2, FOLR1 PDXK 86/4885ALDH1A1 1752/4885KDM4E 3512/4885
US-20030133965-A1 Application of phytosterols (and their isomers), folic acid, cyanocobalamin and pyridoxin in dietetic (alimentary) fibers PLPBP, FOLR2, FOLR1 PDXK 83/4885ALDH1A1 1919/4885KDM4E 4274/4885
US-20070161678-A1 Methods for the synthesis of pyridoxamine AGER, PDXK, PNPO PDXK 2/4885ALDH1A1 335/4885KDM4E 229/4885

“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.