SCHEMBL24354798

SCHEMBL24354798

N#CCCOP(=O)(OCCSSc1ccccn1)O[C@@H]1C[C@H](n2cnc3c(NC(=O)COc4ccccc4)ncnc32)O[C@@H]1COP(=O)(OCCSSc1ccccn1)O[C@@H]1C[C@H](n2cnc3c(NC(=O)COc4ccccc4)ncnc32)O[C@@H]1CO

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 9/20 0.40
▸ P2RY1 P47900 2/20 0.37
▸ P2RY2 P41231 2/20 0.36
▸ P2RY6 Q15077 1/20 0.36

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
SCHEMBL23953081 0.98 P2RY12 (0.39) P2RY12P2RY1P2RY2P2RY6
SCHEMBL24354794 0.98 P2RY12 (0.39) P2RY12P2RY1P2RY2P2RY6
SCHEMBL23953085 0.97 P2RY12 (0.40) P2RY12P2RY1P2RY2P2RY6
SCHEMBL24354796 0.89 TYMP (0.36) P2RY12P2RY1
SCHEMBL23953080 0.89 TYMP (0.36) P2RY12P2RY1
SCHEMBL24354787 0.88 P2RY12 (0.39) P2RY12P2RY1P2RY2P2RY6
SCHEMBL24354785 0.85 P2RY12 (0.38) P2RY12P2RY1
SCHEMBL24354797 0.80 TYMP (0.38) P2RY12P2RY1P2RY2P2RY6
SCHEMBL23953078 0.80 TYMP (0.41) P2RY12P2RY1
SCHEMBL24354786 0.78 TYMP (0.37) P2RY12P2RY1

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-20220125821-A1 CYCLIC DINUCLEOTIDE PRODRUG MOLECULE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHENZHEN YING BIOPHARMACEUTICAL CO., LTD. (CN) 2022-04-28 — — 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-20220125821-A1 CYCLIC DINUCLEOTIDE PRODRUG MOLECULE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF DPYD, PDE11A, PDE7A P2RY12 389/4885P2RY1 365/4885P2RY2 409/4885

“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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