SCHEMBL16003080

SCHEMBL16003080

C[C@@]1(F)C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 6/20 0.60
▸ P2RX4 Q99571 5/20 0.60
▸ P2RX1 P51575 4/20 0.60
▸ P2RX2 Q9UBL9 2/20 0.58
▸ P2RY1 P47900 6/20 0.55
▸ P2RY2 P41231 4/20 0.55
▸ SRC P12931 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ P2RY11 Q96G91 1/20 0.55
▸ RNASEL Q05823 1/20 0.54
▸ MACROD2 A1Z1Q3 1/20 0.52
▸ SIRT6 Q8N6T7 1/20 0.52
▸ MACROD1 Q9BQ69 1/20 0.52
▸ TRPM2 O94759 1/20 0.52
▸ P2RX7 Q99572 1/20 0.52

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
SCHEMBL20326943 0.92 P2RY1 (0.56) P2RX3P2RX4P2RX1P2RY1P2RY2
SCHEMBL16000591 0.89 P2RY1 (0.50) P2RX3P2RX4P2RX1P2RX2P2RY1
SCHEMBL16000590 0.87 P2RX3 (0.46) P2RX3P2RX4P2RX1P2RX2P2RY1
SCHEMBL26027907 0.83 P2RX3 (0.66) P2RX3P2RX4P2RX1P2RX2P2RY1
SCHEMBL22837322 0.83 P2RX3 (0.66) P2RX3P2RX4P2RX1P2RX2P2RY1
SCHEMBL16000597 0.83 POLB (0.51) P2RX3P2RX4P2RX1P2RY1P2RY2
SCHEMBL16000595 0.83 P2RY1 (0.42) P2RX3P2RX4P2RX1P2RX2P2RY1
SCHEMBL22837327 0.82 P2RX1 (0.64) P2RX3P2RX4P2RX1P2RX2P2RY1
SCHEMBL19227689 0.82 P2RX1 (0.62) P2RX3P2RX4P2RX1P2RX2P2RY1
SCHEMBL21078632 0.81 P2RX3 (0.65) P2RX3P2RX4P2RX1P2RX2P2RY1

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 2 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-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 P2RX3 739/4885P2RX4 1261/4885P2RX1 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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