SCHEMBL12729532

SCHEMBL12729532

CSSCCC(=O)NCC#Cc1cn([C@H]2CC(O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1N

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLG P54098 1/20 0.43
▸ P2RY2 P41231 3/20 0.42
▸ P2RY4 P51582 2/20 0.42
▸ P2RY6 Q15077 2/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL17833854 1.00 POLG (0.43) POLGP2RY2P2RY4P2RY6POLB
SCHEMBL13314154 0.91 POLG (0.47) POLGP2RY2P2RY4P2RY6POLB
SCHEMBL6229380 0.89 POLG (0.46) POLGP2RY2P2RY4P2RY6POLB
SCHEMBL6229367 0.89 POLG (0.46) POLGP2RY2P2RY4P2RY6POLB
SCHEMBL10022231 0.89 P2RY2 (0.40) POLGP2RY2P2RY4P2RY6POLB
SCHEMBL10020460 0.89 P2RY2 (0.40) POLGP2RY2P2RY4P2RY6POLB
SCHEMBL7661079 0.88 POLG (0.43) POLGP2RY2P2RY4P2RY6POLB
SCHEMBL13314155 0.86 POLG (0.41) POLGP2RY2P2RY4P2RY6POLB
SCHEMBL20417318 0.85 POLG (0.41) POLGP2RY2P2RY4P2RY6POLB
SCHEMBL20417310 0.85 POLG (0.41) POLGP2RY2P2RY4P2RY6POLB

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-9163053-B2 Nucleotide analogs FLUIDIGM CORPORATION (US) 2015-10-20 — — US disclosed
US-20110081647-A1 NUCLEOTIDE ANALOGS HELICOS BIOSCIENCES CORPORATION (US) 2011-04-07 — — 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-20110081647-A1 NUCLEOTIDE ANALOGS DUT, NT5C2, NUDT21 POLG 193/4885P2RY2 249/4885P2RY4 148/4885

“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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