SCHEMBL6394999

SCHEMBL6394999

COc1ccc2nc([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)sc2c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 3/20 0.65
▸ SLC5A2 P31639 9/20 0.48
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ P2RY4 P51582 1/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA1 P00915 1/20 0.44

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
Benzoic Acid SCHEMBL6397602 0.92 P2RY2 (0.60) P2RY2NPC1RAB9ASMN1; SMN2P2RY4
SCHEMBL6400576 0.84 P2RY2 (0.83) P2RY2CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL6395255 0.82 P2RY2 (0.62) P2RY2SLC5A2CYP1A2CYP3A4SMN1; SMN2
SCHEMBL6395173 0.80 P2RY2 (0.60) P2RY2SLC5A2P2RY4
SCHEMBL7048838 0.80 P2RY2 (0.60) P2RY2SLC5A2P2RY4
Phosphoric Acid SCHEMBL6400578 0.80 P2RY2 (0.63) P2RY2CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL6400565 0.80 P2RY2 (1.00) P2RY2P2RY4
SCHEMBL6395681 0.76 P2RY2 (0.62) P2RY2SLC5A2P2RY4
SCHEMBL6393322 0.75 P2RY2 (0.64) P2RY2SLC5A2CYP3A4DYRK1A
Benzoic Acid SCHEMBL6395749 0.75 P2RY2 (0.57) P2RY2SLC5A2NPC1P2RY4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009777-A1 Non-natural carbon-linked nucleotides and dinucleotides CELLTECH R & D LIMITED (GB) 2005-01-13 — — US disclosed
EP-1409503-A1 NON-NATURAL CARBON-LINKED NUCLEOTIDES AND DINUCLEOTIDES Celltech R & D Limited (GB) 2004-04-21 — — EP disclosed
WO-2003011885-A1 NON-NATURAL CARBON-LINKED NUCLEOTIDES AND DINUCLEOTIDES CELLTECH R & D LIMITED (GB) 2003-02-13 — — WO 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-20050009777-A1 Non-natural carbon-linked nucleotides and dinucleotides P2RY1, P2RY11, P2RY13 P2RY2 4/4885SLC5A2 45/4885CYP1A2 2842/4885

“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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