SCHEMBL112114

SCHEMBL112114

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 3/20 0.59
NT5E P21589 1/20 0.54
TGM2 P21980 1/20 0.53
KRAS P01116 10/20 0.52
FUT6 P51993 2/20 0.52
GSK3A P49840 2/20 0.52
RPS6KA3 P51812 2/20 0.52
MAPK14 Q16539 2/20 0.52
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 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
SCHEMBL109307 0.89 POLB (0.54) HINT1NT5ETGM2KRASFUT6
SCHEMBL111051 0.87 DOT1L (0.56) NT5ETAS1R3TAS1R1
SCHEMBL110494 0.83 ST6GAL1 (0.53)
SCHEMBL112172 0.82 P2RY6 (0.55)
SCHEMBL111255 0.79 NT5E (0.66) HINT1NT5ETGM2KRASTAS1R3
SCHEMBL112343 0.78 NT5E (0.69) HINT1NT5ETGM2KRASTAS1R3
SCHEMBL1533274 0.77 HINT1 (0.73) HINT1NT5ETGM2FUT6GSK3A
SCHEMBL439016 0.77 HINT1 (0.78) HINT1NT5ETGM2KRASGSK3A
SCHEMBL7915394 0.76 HINT1 (0.71) HINT1NT5ETGM2KRASGSK3A
SCHEMBL112112 0.76 POLB (0.52) NT5ETAS1R3TAS1R1

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 HINT1 119/4885NT5E 253/4885TGM2 4080/4885

“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.