SCHEMBL21787115

SCHEMBL21787115

CCC(=O)NCC(C)(C)SSCO[C@@H]1C[C@H](n2cnc3c(N)ncnc32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.49
P2RX1 P51575 4/20 0.49
P2RX2 Q9UBL9 3/20 0.49
POLB P06746 1/20 0.48
P2RX4 Q99571 4/20 0.48
P2RY1 P47900 3/20 0.47
P2RY2 P41231 2/20 0.47
SRC P12931 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RNASEL Q05823 1/20 0.46
DTYMK P23919 2/20 0.46
CHAT P28329 1/20 0.46
AURKA O14965 2/20 0.45

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
SCHEMBL24913298 1.00 P2RX3 (0.49) P2RX3P2RX1P2RX2POLBP2RX4
SCHEMBL21786889 0.92 P2RX3 (0.47) P2RX3P2RX1P2RX2POLBP2RX4
SCHEMBL21786819 0.92 P2RY1 (0.45) P2RX3P2RX1POLBP2RX4P2RY1
SCHEMBL24913567 0.91 P2RX1 (0.45) P2RX3P2RX1P2RX2POLBP2RX4
SCHEMBL21787123 0.90 POLB (0.45) POLBP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL21786830 0.90 CHAT (0.45) P2RX3P2RX1P2RX2POLBP2RX4
SCHEMBL21786896 0.90 CHAT (0.46) P2RX3P2RX1P2RX2POLBP2RX4
SCHEMBL21787025 0.89 P2RX3 (0.54) P2RX3P2RX1P2RX2POLBP2RX4
SCHEMBL19662618 0.89 P2RX3 (0.54) P2RX3P2RX1P2RX2POLBP2RX4
SCHEMBL21787024 0.89 P2RX3 (0.44) P2RX3P2RX1P2RX2POLBP2RX4

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 P2RX3 1115/4885P2RX1 1554/4885P2RX2 1590/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 P2RX3 903/4885P2RX1 1240/4885P2RX2 1300/4885

“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.