SCHEMBL3439728

SCHEMBL3439728

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

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 13/20 0.83
DNMT3B Q9UBC3 5/20 0.79
FPR2 P25090 6/20 0.54
ADRB1 P08588 1/20 0.50

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
SCHEMBL15996532 1.00 DNMT1 (0.83) DNMT1DNMT3BFPR2ADRB1
SCHEMBL536436 1.00 DNMT1 (0.83) DNMT1DNMT3BFPR2ADRB1
SCHEMBL536435 1.00 DNMT1 (0.83) DNMT1DNMT3BFPR2ADRB1
SCHEMBL536396 0.85 DNMT1 (0.67) DNMT1DNMT3BFPR2ADRB1
SCHEMBL15996543 0.85 DNMT1 (0.67) DNMT1DNMT3BFPR2ADRB1
SCHEMBL536395 0.85 DNMT1 (0.67) DNMT1DNMT3BFPR2ADRB1
SCHEMBL536055 0.84 DNMT1 (0.76) DNMT1DNMT3BFPR2ADRB1
SCHEMBL536054 0.84 DNMT1 (0.76) DNMT1DNMT3BFPR2ADRB1
SCHEMBL15996524 0.84 DNMT1 (0.76) DNMT1DNMT3BFPR2ADRB1
SCHEMBL536455 0.84 DNMT1 (0.75) DNMT1DNMT3BFPR2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120094280-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2012-04-19 US 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 (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 DNMT1 9/4885DNMT3B 14/4885FPR2 2003/4885

“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.