SCHEMBL109875

SCHEMBL109875

COC(=O)CCNCCC(=O)OC.Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COP(N)(=O)O)O2)c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
P2RY2 P41231 1/20 0.57
P2RY4 P51582 1/20 0.57
P2RY6 Q15077 1/20 0.57
KRAS P01116 10/20 0.49
NT5E P21589 2/20 0.49
TGM2 P21980 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
F2 P00734 1/20 0.47
FUT5 Q11128 1/20 0.47

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
SCHEMBL2691501 0.93 POLB (0.64) POLBP2RY2P2RY4P2RY6KRAS
SCHEMBL111938 0.93 POLB (0.68) POLBP2RY2P2RY4P2RY6KRAS
SCHEMBL112103 0.88 POLB (0.65) POLBP2RY2P2RY4P2RY6KRAS
SCHEMBL109112 0.86 NT5E (0.68) KRASNT5ETGM2TAS1R3TAS1R1
SCHEMBL25171429 0.85 POLB (0.82) POLBP2RY2P2RY4P2RY6KRAS
SCHEMBL48232 0.85 POLB (0.82) POLBP2RY2P2RY4P2RY6KRAS
SCHEMBL1971161 0.85 POLB (0.82) POLBP2RY2P2RY4P2RY6KRAS
SCHEMBL17117812 0.85 POLB (0.82) POLBP2RY2P2RY4P2RY6KRAS
SCHEMBL16678590 0.85 POLB (0.82) POLBP2RY2P2RY4P2RY6KRAS
SCHEMBL18785118 0.85 POLB (0.82) POLBP2RY2P2RY4P2RY6KRAS

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.