SCHEMBL6047004

SCHEMBL6047004

Cc1cn([C@H]2C[C@H](O)[C@@H](COC(=O)Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.58
POLB P06746 1/20 0.52
BCHE P06276 1/20 0.49

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
SCHEMBL6047006 1.00 TYMS (0.58) TYMSPOLBBCHE
SCHEMBL735528 0.89 TYMS (0.54) TYMSPOLBBCHE
SCHEMBL2543582 0.89 TYMS (0.63) TYMSPOLBBCHE
SCHEMBL31289411 0.89 RNASE1 (0.50) TYMS
SCHEMBL7038116 0.88 TYMS (0.60) TYMSPOLB
SCHEMBL7040500 0.88 TYMS (0.60) TYMSPOLB
SCHEMBL13041710 0.87 TYMS (0.52) TYMSPOLB
SCHEMBL11205120 0.86 CYP1A2 (0.59) TYMS
SCHEMBL11204574 0.86 CYP1A2 (0.59) TYMS
SCHEMBL11205123 0.86 CYP1A2 (0.59) TYMS

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
US-20060154256-A1 Method for covalently attaching nucleosides and/or nucleotides on surfaces and method for determining coupling yields in the synthesis of nucleotides CHEMOGENIX GMBH (DE) 2006-07-13 US disclosed
WO-2004089529-A1 METHOD FOR THE INTRAMOLECULAR ENERGY TRANSFER FOR THE CLEAVAGE OF LABILE FUNCTIONAL GROUP FROM BIOMOLECULES AND THE PROTECTED BIOMOLECULES Universität Konstanz (DE) 2004-10-21 WO disclosed
EP-1438322-A2 METHOD FOR COVALENTLY ATTACHING NUCLEOSIDES AND/OR NUCLEOTIDES ON SURFACES AND METHOD FOR DETERMINING COUPLING YIELDS IN THE SYNTHESIS OF NUCLEOTIDES Chemogenix GmbH (DE) 2004-07-21 EP disclosed
WO-2003035664-A2 METHOD FOR COVALENTLY ATTACHING NUCLEOSIDES AND/OR NUCLEOTIDES ON SURFACES AND METHOD FOR DETERMINING COUPLING YIELDS IN THE SYNTHESIS OF NUCLEOTIDES CHEMOGENIX GMBH (DE) 2003-05-01 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-20060154256-A1 Method for covalently attaching nucleosides and/or nucleotides on surfaces and method for determining coupling yields in the synthesis of nucleotides NUDT1, PNP, NME2 TYMS 80/4885POLB 220/4885BCHE 1677/4885

“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.