SCHEMBL16000595

SCHEMBL16000595

CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@@]1(C)F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 6/20 0.42
▸ P2RX3 P56373 5/20 0.42
▸ P2RX1 P51575 4/20 0.42
▸ P2RX4 Q99571 3/20 0.42
▸ ENPP1 P22413 2/20 0.42
▸ P2RY6 Q15077 1/20 0.42
▸ P2RY11 Q96G91 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.41
▸ RNASEL Q05823 3/20 0.40
▸ P2RX2 Q9UBL9 1/20 0.39
▸ P2RY2 P41231 1/20 0.39
▸ GPR17 Q13304 2/20 0.38

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
SCHEMBL16000591 0.90 P2RY1 (0.50) P2RY1P2RX3P2RX1P2RX4ENPP1
SCHEMBL13591525 0.87 ADORA1 (0.35) —
SCHEMBL16777548 0.83 POLA1 (0.53) P2RY1P2RX3P2RX1P2RX4ENPP1
SCHEMBL16777344 0.83 POLA1 (0.53) P2RY1P2RX3P2RX1P2RX4ENPP1
SCHEMBL16000597 0.83 POLB (0.51) P2RY1P2RX3P2RX1P2RX4ENPP1
SCHEMBL16081063 0.83 P2RY1 (0.51) P2RY1P2RX3P2RX1P2RX4ENPP1
SCHEMBL23584290 0.83 ADORA2A (0.41) —
SCHEMBL16000602 0.83 ADORA2A (0.41) —
SCHEMBL16003080 0.83 P2RX3 (0.60) P2RY1P2RX3P2RX1P2RX4P2RY11
SCHEMBL17617926 0.82 P2RY1 (0.49) P2RY1P2RX3P2RX1P2RX4ENPP1

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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