SCHEMBL18079997

SCHEMBL18079997

C#Cc1[nH]c(=O)ncc1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)[C@@H]1OC

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.44
P2RY2 P41231 19/20 0.43
P2RY4 P51582 8/20 0.42
P2RY6 Q15077 3/20 0.40

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
SCHEMBL18080004 0.91 P2RX3 (0.43) P2RX3P2RY2P2RY4P2RY6
SCHEMBL18079939 0.90 P2RY2 (0.49) P2RX3P2RY2P2RY4P2RY6
SCHEMBL18079988 0.88 P2RX3 (0.46) P2RX3P2RY2P2RY4P2RY6
SCHEMBL18079989 0.88 P2RX3 (0.45) P2RX3P2RY2P2RY4P2RY6
SCHEMBL18079962 0.88 P2RX3 (0.45) P2RX3P2RY2P2RY4P2RY6
SCHEMBL18080010 0.87 P2RY2 (0.45) P2RX3P2RY2P2RY4P2RY6
SCHEMBL18079994 0.87 P2RY2 (0.47) P2RY2P2RY4P2RY6
SCHEMBL18080006 0.85 P2RY2 (0.45) P2RX3P2RY2P2RY4P2RY6
SCHEMBL18079931 0.82 P2RX3 (0.47) P2RX3P2RY2P2RY4P2RY6
SCHEMBL16631528 0.81 PYGL (0.34)

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 P2RX3 846/4885P2RY2 980/4885P2RY4 709/4885

“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.