SCHEMBL109112

SCHEMBL109112

COC(=O)CCNCCC(=O)OC.Nc1nc2c(ncn2[C@@H]2O[C@H](COP(N)(=O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.68
TGM2 P21980 1/20 0.65
KRAS P01116 11/20 0.64
HINT1 P49773 3/20 0.61
IMPDH2 P12268 1/20 0.60
IMPDH1 P20839 1/20 0.60
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
FUT5 Q11128 1/20 0.59
GSK3A P49840 1/20 0.58
RPS6KA3 P51812 1/20 0.58
MAPK14 Q16539 1/20 0.58

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
SCHEMBL110999 0.93 NT5E (0.65) NT5ETGM2KRASHINT1TAS1R3
SCHEMBL112343 0.93 NT5E (0.69) NT5ETGM2KRASHINT1IMPDH2
SCHEMBL5356571 0.90 NT5E (0.81) NT5ETGM2KRASHINT1IMPDH2
SCHEMBL111255 0.88 NT5E (0.66) NT5ETGM2KRASHINT1TAS1R3
SCHEMBL109875 0.86 POLB (0.67) NT5ETGM2KRASTAS1R3TAS1R1
SCHEMBL29160869 0.84 NT5E (0.77) NT5ETGM2KRASHINT1IMPDH2
SCHEMBL14659957 0.84 NT5E (0.77) NT5ETGM2KRASHINT1IMPDH2
SCHEMBL18258303 0.84 NT5E (0.77) NT5ETGM2KRASHINT1IMPDH2
SCHEMBL9238744 0.84 NT5E (0.80) NT5ETGM2KRASHINT1IMPDH2
SCHEMBL12671484 0.84 NT5E (0.80) NT5ETGM2KRASHINT1IMPDH2

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 NT5E 253/4885TGM2 4080/4885KRAS 3861/4885

“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.