SCHEMBL536023

SCHEMBL536023

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C=S)[C@@H](O)[C@H]1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 15/20 0.79
HIF1A Q16665 1/20 0.70
TMEM97 Q5BJF2 1/20 0.70
SIGMAR1 Q99720 1/20 0.70
ADORA2A P29274 2/20 0.67
ADORA2B P29275 2/20 0.67
DPP4 P27487 1/20 0.67
MEN1 O00255 1/20 0.67
SLC28A1 O00337 1/20 0.67
MAP3K7 O43318 1/20 0.67
SLC28A2 O43868 1/20 0.67
GAPDH P04406 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
MAPK1 P28482 1/20 0.67
ADORA1 P30542 1/20 0.67
STAT6 P42226 1/20 0.67
PI4KA P42356 1/20 0.67
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
PI4K2B Q8TCG2 1/20 0.67

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
SCHEMBL3366600 0.90 AHCY (0.79) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL9282755 0.88 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL14304652 0.88 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4150498 0.88 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4150492 0.88 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4776904 0.88 AHCY (1.00) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4868251 0.84 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4867300 0.84 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4867325 0.84 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4868236 0.83 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A

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-20170067093-A1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES VILNIUS UNIVERSITY (LT) 2017-03-09 US disclosed
US-9505797-B2 Conversion of alpha-hydroxyalkylated residues in biomolecules using methyltransferases VILNIUS UNIVERSITY (LT) 2016-11-29 US disclosed
EP-2414527-B1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INST (LT) 2015-05-20 EP disclosed
US-20150093752-A1 Conversion of alpha-hydroxyalkylated residues in biomolecules using methyltransferases VILNIUS UNIVERSITY (LT) 2015-04-02 US disclosed
US-8889352-B2 Conversion of alpha-hydroxyalkylated residues in biomolecules using methyltransferases VILNIUS UNIVERSITY (LT) 2014-11-18 US disclosed
US-8822146-B2 Derivatization of biomolecules by covalent coupling of non-cofactor compounds using methyltransferases VILNIUS UNIVERSITY (LT) 2014-09-02 US disclosed
EP-2414528-B1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES UNIV VILNIUS (LT) 2014-05-07 EP disclosed
US-20120094280-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2012-04-19 US disclosed
US-20120088238-A1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2012-04-12 US disclosed
EP-2414527-A1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES Biotechnologijos Institutas (LT) 2012-02-08 EP disclosed
EP-2414528-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES Biotechnologijos Institutas (LT) 2012-02-08 EP disclosed
WO-2010115847-A1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2010-10-14 WO disclosed
WO-2010115846-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2010-10-14 WO disclosed
US-20080132484-A1 Method for Identifying Inhibitors Using a Homology Model of Polo-Like Kinase 1 CYCLACEL LIMITED (GB) 2008-06-05 US disclosed
US-4376116-A TREATMENT OF CYSTIC FIBROSIS AND PARASITIC INFECTIONS RESEARCH CORPORATION (US) 1983-03-08 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 (3 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-20120088238-A1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES HNMT, SHMT1, BHMT AHCY 14/4885HIF1A 1211/4885TMEM97 2648/4885
US-20120094280-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES EZH1, DOHH, BHMT2 AHCY 10/4885HIF1A 3364/4885TMEM97 4417/4885
US-20080132484-A1 Method for Identifying Inhibitors Using a Homology Model of Polo-Like Kinase 1 PLK2, PLK4, PLK1 AHCY 3199/4885HIF1A 2966/4885TMEM97 3321/4885

“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.