SCHEMBL21100463

SCHEMBL21100463

C[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@@H](n2ccc3c(Cl)nc(Cl)nc32)C[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 16/20 0.43
▸ P2RY4 P51582 5/20 0.43
▸ P2RY1 P47900 3/20 0.42
▸ P2RY6 Q15077 1/20 0.36
▸ POLG P54098 1/20 0.35

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
SCHEMBL21100359 0.91 P2RY1 (0.48) P2RY2P2RY4P2RY1P2RY6POLG
SCHEMBL21050224 0.85 P2RY2 (0.42) P2RY2P2RY4P2RY1P2RY6POLG
SCHEMBL21050304 0.85 P2RY2 (0.42) P2RY2P2RY4P2RY1P2RY6POLG
SCHEMBL21100587 0.84 P2RY1 (0.53) P2RY2P2RY1
SCHEMBL21100304 0.80 HTR2B (0.38) —
SCHEMBL21100457 0.79 P2RY1 (0.65) P2RY2P2RY1P2RY6
SCHEMBL21100297 0.79 POLG (0.54) P2RY2P2RY4P2RY1P2RY6POLG
SCHEMBL21100347 0.78 P2RY1 (0.46) P2RY2P2RY1P2RY6
Phosphoric Acid SCHEMBL21050225 0.76 HTR2B (0.30) —
Phosphoric Acid SCHEMBL21050308 0.76 HTR2B (0.30) —

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-11040975-B2 Carbocyclic nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2021-06-22 — — US disclosed
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-13 — — 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 (2 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-11040975-B2 Carbocyclic nucleoside reverse transcriptase inhibitors SAMHD1, POLRMT, RNGTT P2RY2 4227/4885P2RY4 4092/4885P2RY1 3371/4885
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SAMHD1, POLRMT, RNGTT P2RY2 4227/4885P2RY4 4092/4885P2RY1 3371/4885

“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.

Send feedback