SCHEMBL21786834

SCHEMBL21786834

C=NCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCC(C)(C)SSCO[C@@H]1C[C@H](n2ccc(N)nc2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLG P54098 2/20 0.40
P2RY2 P41231 15/20 0.38
P2RY4 P51582 9/20 0.38
P2RY6 Q15077 8/20 0.38
POLB P06746 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
SCHEMBL24913354 0.88 POLG (0.46) POLGP2RY2P2RY4P2RY6POLB
SCHEMBL24913480 0.87 KRAS (0.45) POLGP2RY2P2RY4P2RY6POLB
SCHEMBL19663213 0.87 POLG (0.45) POLGP2RY2P2RY4P2RY6POLB
SCHEMBL21786808 0.87 POLG (0.45) POLGP2RY2P2RY4P2RY6POLB
SCHEMBL21786811 0.87 POLG (0.47) POLGP2RY2P2RY4P2RY6POLB
SCHEMBL24913347 0.86 CHAT (0.43) POLB
SCHEMBL24913349 0.86 POLB (0.46) POLB
SCHEMBL24913450 0.84
SCHEMBL21786818 0.84 POLG (0.49) POLGP2RY2P2RY4P2RY6POLB
SCHEMBL21787151 0.83 POLG (0.43) 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 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 1781/4885P2RY4 1125/4885

“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.