SCHEMBL21786894

SCHEMBL21786894

CS(C)(CNC(=O)OC1CC/C=C/CCC1)SCOC1C[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
P2RY2 P41231 1/20 0.45
P2RY4 P51582 1/20 0.45
P2RY6 Q15077 1/20 0.45
FUT5 Q11128 1/20 0.44
KRAS P01116 6/20 0.43
TGM2 P21980 1/20 0.42
FUT6 P51993 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
F2 P00734 1/20 0.37
TERT O14746 1/20 0.37
NT5E P21589 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
SCHEMBL21786898 1.00 POLB (0.47) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL21787066 0.89 P2RX3 (0.45) POLBP2RY2
SCHEMBL21787067 0.89 P2RX3 (0.45) POLBP2RY2
SCHEMBL24913388 0.88 POLB (0.46) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL19662514 0.88 POLB (0.46) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL21786812 0.85 POLG (0.47) POLBP2RY2P2RY4P2RY6
SCHEMBL21786815 0.85 POLG (0.47) POLBP2RY2P2RY4P2RY6
SCHEMBL21787060 0.85 POLB (0.50) POLB
SCHEMBL21787061 0.85 POLB (0.50) POLB
SCHEMBL21786803 0.80

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 POLB 12/4885P2RY2 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.