SCHEMBL109307

SCHEMBL109307

Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COP(N)(=O)Oc3cccc(COC(=O)CNCC(=O)OCc4ccccc4)c3)O2)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
P2RY2 P41231 1/20 0.48
P2RY4 P51582 1/20 0.48
P2RY6 Q15077 1/20 0.48
HINT1 P49773 1/20 0.45
F2 P00734 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TYMP P19971 1/20 0.42
TYMS P04818 1/20 0.41
FUT6 P51993 1/20 0.41
NT5E P21589 2/20 0.40
KRAS P01116 4/20 0.40
TGM2 P21980 1/20 0.40
PNP P00491 1/20 0.39
GSK3A P49840 1/20 0.39
RPS6KA3 P51812 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL112114 0.89 HINT1 (0.59) HINT1TAS1R3TAS1R1FUT6NT5E
SCHEMBL112112 0.87 POLB (0.52) POLBP2RY2TAS1R3TAS1R1NT5E
SCHEMBL111875 0.84 POLB (0.51) POLBP2RY2P2RY4P2RY6TYMS
SCHEMBL111346 0.82 DUT (0.55) P2RY2P2RY4P2RY6TYMS
SCHEMBL23187749 0.82 POLB (0.53) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL111384 0.82 TYMS (0.51) POLBTYMS
SCHEMBL22348816 0.81 POLB (0.56) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL22348812 0.81 POLB (0.56) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL112103 0.80 POLB (0.65) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL111938 0.79 POLB (0.68) POLBP2RY2P2RY4P2RY6TAS1R3

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 POLB 6/4885P2RY2 1050/4885P2RY4 989/4885

“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.