SCHEMBL21786818

SCHEMBL21786818

CCC(=O)NCC(C)(C)SSCO[C@@H]1C[C@H](n2ccc(N)nc2=O)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLG P54098 2/20 0.49
POLB P06746 1/20 0.46
P2RY2 P41231 12/20 0.46
P2RY6 Q15077 8/20 0.46
P2RY4 P51582 6/20 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
SCHEMBL21786811 0.92 POLG (0.47) POLGPOLBP2RY2P2RY6P2RY4
SCHEMBL24913354 0.91 POLG (0.46) POLGPOLBP2RY2P2RY6P2RY4
SCHEMBL21786808 0.90 POLG (0.45) POLGPOLBP2RY2P2RY6P2RY4
SCHEMBL19663213 0.90 POLG (0.45) POLGPOLBP2RY2P2RY6P2RY4
SCHEMBL21786923 0.89 POLB (0.43) POLGPOLBP2RY2P2RY6P2RY4
SCHEMBL21786935 0.89 POLG (0.55) POLGPOLBP2RY2P2RY6P2RY4
SCHEMBL23734154 0.89 POLG (0.57) POLGPOLBP2RY2P2RY6P2RY4
SCHEMBL23734249 0.89 POLG (0.57) POLGPOLBP2RY2P2RY6P2RY4
SCHEMBL21786933 0.89 POLG (0.57) POLGPOLBP2RY2P2RY6P2RY4
SCHEMBL21786852 0.87 POLG (0.56) POLGPOLBP2RY2P2RY6P2RY4

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-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 US disclosed
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 (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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT POLG 161/4885POLB 12/4885P2RY2 1781/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 POLG 169/4885POLB 11/4885P2RY2 1489/4885

“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.