SCHEMBL21100151

SCHEMBL21100151

C[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLG P54098 2/20 0.53
▸ PNP P00491 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ FUT5 Q11128 1/20 0.49
▸ HPRT1 P00492 6/20 0.47
▸ P2RY2 P41231 2/20 0.47
▸ P2RY4 P51582 1/20 0.47
▸ P2RY6 Q15077 1/20 0.47
▸ TGM2 P21980 1/20 0.47
▸ P2RY1 P47900 2/20 0.46
▸ POLA1 P09884 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL21050283 0.87 POLG (0.50) POLGPNPPOLBFUT5HPRT1
SCHEMBL21050234 0.87 POLG (0.50) POLGPNPPOLBFUT5HPRT1
SCHEMBL21050291 0.87 POLG (0.50) POLGPNPPOLBFUT5HPRT1
SCHEMBL21050275 0.87 POLG (0.50) POLGPNPPOLBFUT5HPRT1
SCHEMBL21100303 0.85 P2RY1 (0.52) P2RY2P2RY6P2RY1
SCHEMBL21100457 0.85 P2RY1 (0.65) PNPP2RY2P2RY6P2RY1
SCHEMBL19993659 0.84 POLB (0.57) POLGPNPPOLBFUT5HPRT1
SCHEMBL21100587 0.83 P2RY1 (0.53) P2RY2P2RY1
SCHEMBL21100357 0.83 ADORA3 (0.58) PNPHPRT1ADORA3
SCHEMBL24235900 0.83 POLG (0.51) POLGPNPPOLBFUT5HPRT1

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 POLG 73/4885PNP 20/4885POLB 8/4885
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SAMHD1, POLRMT, RNGTT POLG 73/4885PNP 20/4885POLB 8/4885

“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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