SCHEMBL12537717

SCHEMBL12537717

Nc1ncnc2c1ncn2[C@H]1C[C@H](OP(N)(=O)O)[C@@H](COC(=O)[C@@H](N)COS(=O)(=O)O)O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ENPP1 P22413 2/20 0.45
P2RY1 P47900 2/20 0.45
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
MARS1 P56192 1/20 0.45
SARS1 P49591 1/20 0.44
DNPH1 O43598 1/20 0.43
PRKAB2 O43741 1/20 0.43
TRPM2 O94759 1/20 0.43
LDHA P00338 1/20 0.43
ADRB2 P07550 1/20 0.43
FBP1 P09467 1/20 0.43
SRC P12931 1/20 0.43
ADORA1 P30542 1/20 0.43
P2RY2 P41231 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PDE4D Q08499 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL12537676 0.91 POLB (0.52) POLBENPP1P2RY1TAS1R3TAS1R1
SCHEMBL1984326 0.88 POLB (0.51) POLBENPP1P2RY1TAS1R3TAS1R1
SCHEMBL12537621 0.84 ASNS (0.51) POLBENPP1P2RY1TAS1R3TAS1R1
SCHEMBL11903486 0.82 POLB (0.52) POLBENPP1P2RY1TAS1R3TAS1R1
SCHEMBL12537744 0.81 POLB (0.51) POLBENPP1P2RY1TAS1R3TAS1R1
SCHEMBL112026 0.79 POLB (0.49) POLBENPP1P2RY1TAS1R3TAS1R1
SCHEMBL111240 0.78 POLB (0.48) POLBENPP1P2RY1TAS1R3TAS1R1
SCHEMBL11422388 0.78 POLB (0.51) POLBENPP1P2RY1TAS1R3TAS1R1
SCHEMBL111614 0.77 POLB (0.45) POLBENPP1P2RY1TAS1R3TAS1R1
SCHEMBL24059946 0.77 P2RY1 (0.64) POLBP2RY1TAS1R3TAS1R1DNPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245029-A1 NOVEL PHOSPH(ON)ATE- AND SULF(ON)ATE-BASED PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-09-27 US 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-20120245029-A1 NOVEL PHOSPH(ON)ATE- AND SULF(ON)ATE-BASED PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS TYMP, PNP, MTAP POLB 13/4885ENPP1 27/4885P2RY1 724/4885

“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.