SCHEMBL31078191

SCHEMBL31078191

CCOP(=O)(CS(=O)(=O)C[C@H]1O[C@@H](n2ccc3c(NC4CCCC4)c(C#N)c(Cl)nc32)[C@@H]2OC(C)(C)O[C@@H]21)OCC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NT5E P21589 14/20 0.33
ADORA1 P30542 3/20 0.32
ADORA3 P0DMS8 3/20 0.32
ADORA2A P29274 2/20 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
SCHEMBL31078266 0.92
SCHEMBL23270563 0.91 NT5E (0.36) NT5E
SCHEMBL31078220 0.91 NT5E (0.32) NT5EADORA1ADORA3ADORA2A
SCHEMBL23270470 0.90 NT5E (0.33) NT5EADORA1ADORA3ADORA2A
SCHEMBL23270606 0.90 NT5E (0.32) NT5EADORA1ADORA3ADORA2A
SCHEMBL23752746 0.89 NT5E (0.33) NT5EADORA1ADORA3ADORA2A
SCHEMBL31078437 0.89 NT5E (0.36) NT5EADORA1ADORA3ADORA2A
SCHEMBL23270580 0.87 NT5E (0.33) NT5EADORA1ADORA3ADORA2A
SCHEMBL31622317 0.87 NT5E (0.33) NT5EADORA1ADORA3ADORA2A
SCHEMBL31078424 0.84 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 2/4885ADORA1 35/4885ADORA3 27/4885

“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.