SCHEMBL23907480

SCHEMBL23907480

CP(=O)(O)OOC[C@H]1O[C@H](c2c[nH]c3c(N4CC5CCCC5C4)nc(Cl)nc23)[C@H](O)[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 15/20 0.36
▸ PNP P00491 3/20 0.35
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ EIF4E P06730 1/20 0.30

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
SCHEMBL20524195 0.87 NT5E (0.49) NT5E
SCHEMBL21839665 0.87 NT5E (0.49) NT5E
SCHEMBL21882843 0.87 NT5E (0.49) NT5E
SCHEMBL23914994 0.87 NT5E (0.49) NT5E
SCHEMBL23907408 0.86 NT5E (0.35) NT5EADORA3ADORA2AADORA1
SCHEMBL23907559 0.86 NT5E (0.35) NT5EADORA3ADORA2AADORA1
SCHEMBL23907563 0.81 NT5E (0.36) NT5E
SCHEMBL30394772 0.79 NT5E (0.31) NT5E
SCHEMBL23907515 0.75 NT5E (0.57) NT5E
SCHEMBL23907431 0.75 NT5E (0.45) NT5EADORA3ADORA2AADORA1

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 5/4885PNP 11/4885ADORA3 9/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E NT5E 3/4885PNP 8/4885ADORA3 29/4885

“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.

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