SCHEMBL18785151

SCHEMBL18785151

Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)C(O)[C@@H]2O)c(=O)n1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 11/20 0.76
P2RY6 Q15077 14/20 0.72
P2RY4 P51582 7/20 0.68

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
SCHEMBL18785149 1.00 P2RY2 (0.76) P2RY2P2RY6P2RY4
SCHEMBL12595472 1.00 P2RY2 (0.76) P2RY2P2RY6P2RY4
SCHEMBL308618 1.00 P2RY2 (0.76) P2RY2P2RY6P2RY4
SCHEMBL18785150 1.00 P2RY2 (0.76) P2RY2P2RY6P2RY4
SCHEMBL532547 1.00 P2RY2 (0.76) P2RY2P2RY6P2RY4
SCHEMBL154172 1.00 P2RY2 (0.76) P2RY2P2RY6P2RY4
SCHEMBL29360821 1.00 P2RY2 (0.76) P2RY2P2RY6P2RY4
SCHEMBL39904 1.00 P2RY2 (0.76) P2RY2P2RY6P2RY4
SCHEMBL10585778 0.99 P2RY2 (0.75) P2RY2P2RY6P2RY4
SCHEMBL22635992 0.99 P2RY2 (0.75) P2RY2P2RY6P2RY4

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-20170112948-A1 Inorganic-organic hybrid compound Karlsruher Institut für Technologie (DE) 2017-04-27 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-20170112948-A1 Inorganic-organic hybrid compound SLCO4C1, SLCO2A1, SLCO1A2 P2RY2 1037/4885P2RY6 802/4885P2RY4 518/4885

“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.