SCHEMBL31078424

SCHEMBL31078424

CCOP(=O)(CS(=O)(=O)C[C@H]1O[C@@H](n2ccc3c(N[C@H](C)c4ccc(F)cc4)c(C#N)c(Cl)nc32)[C@@H]2OC(C)(C)O[C@@H]21)OCC

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 5/20 0.43

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
SCHEMBL31078605 1.00 NT5E (0.43) NT5E
SCHEMBL23270455 0.92 NT5E (0.47) NT5E
SCHEMBL23270498 0.92 NT5E (0.47) NT5E
SCHEMBL23270456 0.92 NT5E (0.47) NT5E
SCHEMBL31078489 0.90 NT5E (0.43) NT5E
SCHEMBL31078302 0.88 NT5E (0.44) NT5E
SCHEMBL31078385 0.88 NT5E (0.44) NT5E
SCHEMBL23270462 0.85 NT5E (0.43) NT5E
SCHEMBL23270604 0.85 NT5E (0.43) NT5E
SCHEMBL23270463 0.85 NT5E (0.43) 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 NT5E 2/4885

“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.