SCHEMBL111384

SCHEMBL111384

Cc1cn([C@H]2C[C@H](O)[C@@H](COP(N)(=O)Oc3cccc(COC(=O)CNCC(=O)OCc4ccccc4)c3)O2)c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYMS P04818 4/20 0.51
POLB P06746 1/20 0.49
TK1 P04183 2/20 0.46

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
SCHEMBL111346 0.89 DUT (0.55) TYMS
SCHEMBL111875 0.83 POLB (0.51) TYMSPOLB
SCHEMBL109307 0.82 POLB (0.54) TYMSPOLB
SCHEMBL109370 0.79 POLB (0.62) TYMSPOLBTK1
SCHEMBL112112 0.79 POLB (0.52) POLB
SCHEMBL22348854 0.79 TYMS (0.56) TYMSPOLBTK1
SCHEMBL21162569 0.79 TYMS (0.56) TYMSPOLBTK1
SCHEMBL22348855 0.79 TYMS (0.56) TYMSPOLBTK1
SCHEMBL111855 0.77 POLB (0.64) TYMSPOLBTK1
SCHEMBL27600120 0.77 POLB (0.66) TYMSPOLBTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108533-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-05-03 US disclosed
EP-2424874-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-03-07 EP disclosed
WO-2010125200-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-11-04 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-20120108533-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS PNP, TYMP, MTAP TYMS 37/4885POLB 6/4885TK1 58/4885

“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.