SCHEMBL23907472

SCHEMBL23907472

CP(=O)(O)OOC[C@H]1O[C@@H](n2ccc3c(N4CCC(F)(F)C4)nc(C#N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.37
P2RY2 P41231 15/20 0.36
P2RY6 Q15077 5/20 0.36
P2RY4 P51582 5/20 0.36
P2RY14 Q15391 1/20 0.34

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
SCHEMBL23907507 0.89 NT5E (0.41) NT5EP2RY2P2RY6P2RY4
SCHEMBL21839821 0.88 NT5E (0.45) NT5E
SCHEMBL23907434 0.88 NT5E (0.42) NT5EP2RY2P2RY6P2RY4
SCHEMBL23907532 0.87 P2RY2 (0.46) NT5EP2RY2P2RY6P2RY4
SCHEMBL23907445 0.84 P2RY2 (0.37) NT5EP2RY2P2RY6P2RY4
SCHEMBL21839819 0.83 NT5E (0.48) NT5E
SCHEMBL23907405 0.82 NT5E (0.42) NT5E
SCHEMBL23907496 0.80 P2RY2 (0.41) NT5EP2RY2P2RY6P2RY4P2RY14
SCHEMBL23907535 0.80 ADORA3 (0.49) NT5EP2RY2P2RY6P2RY4
SCHEMBL23907531 0.79 NT5E (0.48) NT5EP2RY2P2RY6P2RY4

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-11591355-B2 CD73 inhibitors and uses thereof PELOTON THERAPEUTICS INC. (US) 2023-02-28 US disclosed
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2021-10-14 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-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 NT5E 5/4885P2RY2 23/4885P2RY6 26/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E NT5E 3/4885P2RY2 43/4885P2RY6 53/4885

“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.