SCHEMBL536062

SCHEMBL536062

[CH2]SC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 8/20 0.83
NADK O95544 1/20 0.83
DOT1L Q8TEK3 3/20 0.74
DNMT3B Q9UBC3 2/20 0.74
DNMT1 P26358 2/20 0.74
PNMT P11086 1/20 0.74
DPP4 P27487 1/20 0.74
MEN1 O00255 1/20 0.74
SLC28A1 O00337 1/20 0.74
MAP3K7 O43318 1/20 0.74
SLC28A2 O43868 1/20 0.74
GAPDH P04406 1/20 0.74
ADORA3 P0DMS8 1/20 0.74
MAPK1 P28482 1/20 0.74
ADORA2A P29274 1/20 0.74
ADORA2B P29275 1/20 0.74
ADORA1 P30542 1/20 0.74
STAT6 P42226 1/20 0.74
PI4KA P42356 1/20 0.74
KMT2A Q03164 1/20 0.74

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
Methylthioadenosine SCHEMBL29439558 0.88 AHCY (0.83) AHCYNADKDOT1LDNMT3BDNMT1
Methylthioadenosine SCHEMBL160358 0.88 AHCY (0.83) AHCYNADKDOT1LDNMT3BDNMT1
Methylthioadenosine SCHEMBL29361072 0.88 AHCY (0.83) AHCYNADKDOT1LDNMT3BDNMT1
Methylthioadenosine SCHEMBL890628 0.88 AHCY (0.83) AHCYNADKDOT1LDNMT3BDNMT1
Methylthioadenosine SCHEMBL101382 0.88 AHCY (0.83) AHCYNADKDOT1LDNMT3BDNMT1
Methylthioadenosine SCHEMBL11954365 0.88 AHCY (0.83) AHCYNADKDOT1LDNMT3BDNMT1
Methylthioadenosine SCHEMBL10013421 0.88 AHCY (0.83) AHCYNADKDOT1LDNMT3BDNMT1
Methylthioadenosine SCHEMBL31388809 0.88 AHCY (0.83) AHCYNADKDOT1LDNMT3BDNMT1
Methylthioadenosine SCHEMBL20798030 0.88 AHCY (0.83) AHCYNADKDOT1LDNMT3BDNMT1
SCHEMBL21243035 0.87 DOT1L (0.84) AHCYNADKDOT1LDNMT3BDNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414528-B1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES UNIV VILNIUS (LT) 2014-05-07 EP claimed
US-20120094280-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2012-04-19 US claimed
EP-2414528-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES Biotechnologijos Institutas (LT) 2012-02-08 EP claimed
WO-2010115846-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2010-10-14 WO claimed

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-20120094280-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES EZH1, DOHH, BHMT2 AHCY 10/4885NADK 306/4885DOT1L 22/4885

“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.