SCHEMBL21050302

SCHEMBL21050302

C#C[C@@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H](n2ccc(N)nc2=O)C[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLG P54098 3/20 0.51
▸ P2RY2 P41231 12/20 0.43
▸ P2RY4 P51582 5/20 0.43
▸ POLB P06746 1/20 0.43
▸ P2RY6 Q15077 3/20 0.42
▸ P2RY1 P47900 3/20 0.37
▸ P2RY11 Q96G91 1/20 0.37

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
SCHEMBL21050306 1.00 POLG (0.51) POLGP2RY2P2RY4POLBP2RY6
SCHEMBL21100297 0.85 POLG (0.54) POLGP2RY2P2RY4POLBP2RY6
SCHEMBL21050245 0.82 P2RY1 (0.46) POLGP2RY2P2RY4P2RY6P2RY1
SCHEMBL21050261 0.82 P2RY1 (0.46) POLGP2RY2P2RY4P2RY6P2RY1
SCHEMBL21050224 0.80 P2RY2 (0.42) POLGP2RY2P2RY4P2RY6P2RY1
SCHEMBL21050304 0.80 P2RY2 (0.42) POLGP2RY2P2RY4P2RY6P2RY1
SCHEMBL31653050 0.80 POLG (0.55) POLGP2RY2P2RY4POLBP2RY6
SCHEMBL21050277 0.80 PDE3A (0.43) POLGPOLB
SCHEMBL21050242 0.80 PDE3A (0.43) POLGPOLB
SCHEMBL21050234 0.78 POLG (0.50) POLGP2RY2P2RY4POLBP2RY6

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 claimed
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-13 — — US claimed

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 POLG 73/4885P2RY2 4227/4885P2RY4 4092/4885
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SAMHD1, POLRMT, RNGTT POLG 73/4885P2RY2 4227/4885P2RY4 4092/4885

“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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