SCHEMBL21787066

SCHEMBL21787066

CS(C)(CNC(=O)OC1CC/C=C/CCC1)SCOC1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.45
P2RX1 P51575 5/20 0.45
P2RX4 Q99571 5/20 0.45
P2RX2 Q9UBL9 4/20 0.45
POLB P06746 1/20 0.44
P2RY1 P47900 3/20 0.43
RNASEL Q05823 3/20 0.43
P2RY2 P41231 2/20 0.43
P2RX7 Q99572 1/20 0.43
SRC P12931 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DTYMK P23919 2/20 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
SCHEMBL21787067 1.00 P2RX3 (0.45) P2RX3P2RX1P2RX4P2RX2POLB
SCHEMBL21786898 0.89 POLB (0.47) POLBP2RY2
SCHEMBL21786894 0.89 POLB (0.47) POLBP2RY2
SCHEMBL19662411 0.87 P2RX3 (0.44) P2RX3P2RX1P2RX4P2RX2POLB
SCHEMBL19662810 0.87 P2RX3 (0.44) P2RX3P2RX1P2RX4P2RX2POLB
SCHEMBL21786812 0.84 POLG (0.47) POLBP2RY2
SCHEMBL21786815 0.84 POLG (0.47) POLBP2RY2
SCHEMBL21787060 0.82 POLB (0.50) POLBDTYMK
SCHEMBL21787061 0.82 POLB (0.50) POLBDTYMK
SCHEMBL21786809 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 P2RX3 1115/4885P2RX1 1554/4885P2RX4 1264/4885

“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.