SCHEMBL16000591

SCHEMBL16000591

C[C@@]1(F)C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(N)nc(N)nc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 7/20 0.50
▸ P2RX3 P56373 4/20 0.50
▸ P2RX1 P51575 3/20 0.50
▸ ENPP1 P22413 2/20 0.50
▸ P2RX4 Q99571 2/20 0.50
▸ P2RY11 Q96G91 2/20 0.50
▸ P2RY6 Q15077 1/20 0.50
▸ P2RY12 Q9H244 2/20 0.49
▸ RNASEL Q05823 3/20 0.48
▸ P2RY2 P41231 1/20 0.46
▸ IMPDH2 P12268 1/20 0.45
▸ IMPDH1 P20839 1/20 0.45
▸ P2RX2 Q9UBL9 1/20 0.45
▸ GPR17 Q13304 2/20 0.45
▸ NT5E P21589 1/20 0.45

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
SCHEMBL16000595 0.90 P2RY1 (0.42) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL16003080 0.89 P2RX3 (0.60) P2RY1P2RX3P2RX1P2RX4P2RY11
SCHEMBL16000597 0.86 POLB (0.51) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL16000590 0.85 P2RX3 (0.46) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL12878125 0.84 P2RY1 (0.57) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL13976360 0.84 P2RY1 (0.57) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL22837321 0.84 P2RY1 (0.57) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL12799373 0.84 P2RY1 (0.57) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL12849777 0.84 P2RY1 (0.57) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL20991004 0.83 P2RX3 (0.53) P2RY1P2RX3P2RX1ENPP1P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309275-B2 3′-deoxy nucleosides for the treatment of HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-12 — — US disclosed
US-9309275-B2 3′-deoxy nucleosides for the treatment of HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-12 — — US disclosed
US-20140248241-A1 3'-DEOXY NUCLEOSIDES FOR THE TREATMENT OF HCV UNIVERSITE DE MONTPELLIER (FR) 2014-09-04 — — US disclosed
US-20140248241-A1 3'-DEOXY NUCLEOSIDES FOR THE TREATMENT OF HCV UNIVERSITE DE MONTPELLIER (FR) 2014-09-04 — — 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-20140248241-A1 3'-DEOXY NUCLEOSIDES FOR THE TREATMENT OF HCV SLC29A1, NUDT1, SLC28A1 P2RY1 168/4885P2RX3 739/4885P2RX1 718/4885

“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.

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