SCHEMBL536086

SCHEMBL536086

Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 9/20 0.84
FPR2 P25090 7/20 0.84
DNMT3B Q9UBC3 4/20 0.84
GNMT Q14749 1/20 0.56
DPP4 P27487 1/20 0.56
MEN1 O00255 1/20 0.56
SLC28A1 O00337 1/20 0.56
MAP3K7 O43318 1/20 0.56
SLC28A2 O43868 1/20 0.56
GAPDH P04406 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
MAPK1 P28482 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA2B P29275 1/20 0.56
ADORA1 P30542 1/20 0.56
STAT6 P42226 1/20 0.56
PI4KA P42356 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PI4K2B Q8TCG2 1/20 0.56

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
SCHEMBL15996534 1.00 DNMT1 (0.84) DNMT1FPR2DNMT3BGNMTDPP4
SCHEMBL3686527 1.00 DNMT1 (0.84) DNMT1FPR2DNMT3BGNMTDPP4
SCHEMBL3439727 1.00 DNMT1 (0.84) DNMT1FPR2DNMT3BGNMTDPP4
SCHEMBL23610066 0.91 DNMT1 (1.00) DNMT1FPR2DNMT3BDPP4MEN1
SCHEMBL23610113 0.87 DNMT1 (1.00) DNMT1FPR2DNMT3BDPP4MEN1
Adenosine SCHEMBL5150670 0.82 ADORA3 (0.80) DNMT1FPR2DNMT3BDPP4MEN1
SCHEMBL23624397 0.80 DNMT1 (1.00) DNMT1FPR2DNMT3BKMT2ADOT1L
SCHEMBL23610153 0.80 DNMT1 (1.00) DNMT1FPR2DNMT3BKMT2ADOT1L
SCHEMBL23610159 0.80 DNMT1 (1.00) DNMT1FPR2DNMT3BKMT2ADOT1L
Deoxyadenosine SCHEMBL21001775 0.80 DNMT1 (0.66) DNMT1FPR2DNMT3BDPP4MEN1

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-9505797-B2 Conversion of alpha-hydroxyalkylated residues in biomolecules using methyltransferases VILNIUS UNIVERSITY (LT) 2016-11-29 US claimed
US-20150093752-A1 Conversion of alpha-hydroxyalkylated residues in biomolecules using methyltransferases VILNIUS UNIVERSITY (LT) 2015-04-02 US claimed
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-2414528-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES Biotechnologijos Institutas (LT) 2012-02-08 EP disclosed
EP-2414527-A1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES 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

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-20120088238-A1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES HNMT, SHMT1, BHMT DNMT1 18/4885FPR2 2326/4885DNMT3B 69/4885
US-20120094280-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES EZH1, DOHH, BHMT2 DNMT1 9/4885FPR2 2003/4885DNMT3B 14/4885

“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.