SCHEMBL23734374

SCHEMBL23734374

CC(C)(C)SSCO[C@@H]1C[C@H](n2cc(C#CCOCSSC(C)(C)CNC(=O)OC3CC/C=C/CCC3)c3c(N)ncnc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
P2RX3 P56373 4/20 0.32
P2RX1 P51575 3/20 0.32
P2RX4 Q99571 3/20 0.32
RNASEL Q05823 4/20 0.31
CHAT P28329 2/20 0.31
P2RX2 Q9UBL9 2/20 0.30
AURKA O14965 2/20 0.30
EP300 Q09472 1/20 0.30
KAT2B Q92831 1/20 0.30
KAT5 Q92993 1/20 0.30
NAA50 Q9GZZ1 1/20 0.30
ENTPD1 P49961 1/20 0.30

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
SCHEMBL23734492 1.00 CA2 (0.33) CA2P2RX3P2RX1P2RX4RNASEL
SCHEMBL24824020 0.93 CA2 (0.32) CA2
SCHEMBL24906032 0.91 POLG (0.34)
SCHEMBL23734170 0.90 FUT5 (0.33)
SCHEMBL21787004 0.88
SCHEMBL23734272 0.87 POLB (0.37)
SCHEMBL23734491 0.86 ENTPD1 (0.36) P2RX3P2RX1P2RX4P2RX2ENTPD1
SCHEMBL19662411 0.85 P2RX3 (0.44) P2RX3P2RX1P2RX4RNASELCHAT
SCHEMBL19662810 0.85 P2RX3 (0.44) P2RX3P2RX1P2RX4RNASELCHAT
SCHEMBL22327020 0.81 P2RX3 (0.39) P2RX3P2RX1P2RX4RNASELP2RX2

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-11085076-B2 Synthesis of novel disulfide linker based nucleotides as reversible terminators for DNA sequencing by synthesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-08-10 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-11085076-B2 Synthesis of novel disulfide linker based nucleotides as reversible terminators for DNA sequencing by synthesis POLRMT, RNGTT, MTR CA2 4253/4885P2RX3 4623/4885P2RX1 4585/4885

“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.