SCHEMBL21786815

SCHEMBL21786815

CS(C)(CNC(=O)OC1CC/C=C/CCC1)SCO[C@@H]1C[C@H](n2ccc(N)nc2=O)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLG P54098 3/20 0.47
P2RY2 P41231 11/20 0.42
P2RY6 Q15077 7/20 0.42
P2RY4 P51582 5/20 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
SCHEMBL21786812 1.00 POLG (0.47) POLGP2RY2P2RY6P2RY4POLB
SCHEMBL24913270 0.87 POLG (0.44) POLGP2RY2P2RY6P2RY4POLB
SCHEMBL21786987 0.87 POLG (0.44) POLGP2RY2P2RY6P2RY4POLB
SCHEMBL21786898 0.85 POLB (0.47) P2RY2P2RY6P2RY4POLB
SCHEMBL21786894 0.85 POLB (0.47) P2RY2P2RY6P2RY4POLB
SCHEMBL21787066 0.84 P2RX3 (0.45) P2RY2POLB
SCHEMBL21787067 0.84 P2RX3 (0.45) P2RY2POLB
SCHEMBL21787060 0.84 POLB (0.50) POLB
SCHEMBL21787061 0.84 POLB (0.50) POLB
SCHEMBL21786803 0.82

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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT POLG 161/4885P2RY2 1781/4885P2RY6 1412/4885

“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.