SCHEMBL31078413

SCHEMBL31078413

CCOP(=O)(COC[C@H]1O[C@@H](n2cnc3c(N4CCC(F)(F)C4)c(C#N)c(Cl)nc32)[C@@H]2OC(C)(C)O[C@@H]21)OCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.38
P2RX1 P51575 2/20 0.38
P2RX4 Q99571 2/20 0.38
RXFP1 Q9HBX9 1/20 0.36
NT5E P21589 12/20 0.36
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
CD79B P40259 1/20 0.33
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL23270441 0.91 NT5E (0.44) P2RX3P2RX1P2RX4NT5E
SCHEMBL31078375 0.89 P2RX3 (0.39) P2RX3P2RX1P2RX4RXFP1NT5E
SCHEMBL31078292 0.88
SCHEMBL23270448 0.86 PI4KA (0.47) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL31078497 0.85 NT5E (0.36) NT5E
SCHEMBL31078334 0.81 NT5E (0.46) P2RX3P2RX1P2RX4RXFP1NT5E
SCHEMBL23270440 0.80 NT5E (0.57) NT5E
SCHEMBL23270564 0.80 NT5E (0.45) P2RX3P2RX1P2RX4NT5E
SCHEMBL31078287 0.80 NT5E (0.57) NT5E
SCHEMBL31622326 0.80 NT5E (0.57) NT5E

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-12331068-B2 Compositions and methods for inhibiting CD73 PELOTON THERAPEUTICS, INC. (US) 2025-06-17 US disclosed
EP-3810109-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING CD73 PELOTON THERAPEUTICS INC (US) 2024-08-07 EP 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-12331068-B2 Compositions and methods for inhibiting CD73 ENTPD5, NT5E, ENTPD1 P2RX3 37/4885P2RX1 53/4885P2RX4 83/4885

“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.