SCHEMBL25753926

SCHEMBL25753926

CCC#Cc1cn([C@H]2CC(OCSSC(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c2ncnc(N)c12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENTPD1 P49961 3/20 0.39
P2RX3 P56373 4/20 0.39
P2RX1 P51575 2/20 0.39
P2RX2 Q9UBL9 1/20 0.39
P2RX4 Q99571 3/20 0.39
CA2 P00918 1/20 0.38
DTYMK P23919 2/20 0.37
P2RX7 Q99572 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
SCHEMBL25753576 1.00 ENTPD1 (0.39) ENTPD1P2RX3P2RX1P2RX2P2RX4
SCHEMBL20810825 0.95 P2RX3 (0.39) ENTPD1P2RX3P2RX1P2RX2P2RX4
SCHEMBL22327020 0.95 P2RX3 (0.39) ENTPD1P2RX3P2RX1P2RX2P2RX4
SCHEMBL22327025 0.95 P2RX3 (0.39) ENTPD1P2RX3P2RX1P2RX2P2RX4
SCHEMBL23734491 0.90 ENTPD1 (0.36) ENTPD1P2RX3P2RX1P2RX2P2RX4
SCHEMBL26068393 0.90 CA2 (0.35) ENTPD1P2RX3P2RX1P2RX2CA2
SCHEMBL25753563 0.89 ENTPD1 (0.38) ENTPD1P2RX3P2RX1P2RX2P2RX4
SCHEMBL22327431 0.88 P2RX3 (0.42) P2RX3P2RX1P2RX2P2RX4P2RX7
SCHEMBL25753580 0.88 POLG (0.44) P2RX3P2RX1P2RX4
SCHEMBL25753931 0.88 POLG (0.44) P2RX3P2RX1P2RX4

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-20230257414-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-08-17 US disclosed
US-20230203083-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 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-20230257414-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 ENTPD1 77/4885P2RX3 1119/4885P2RX1 1289/4885
US-20230203083-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 ENTPD1 77/4885P2RX3 1119/4885P2RX1 1289/4885

“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.