SCHEMBL21882827

SCHEMBL21882827

CO[C@H](COCP(=O)(O)O)[C@@H](O)[C@@H](O)n1ccc2c(N[C@H](C)c3ccccc3)cc(Cl)nc21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 16/20 0.38
▸ KCNN3 Q9UGI6 1/20 0.33
▸ ANPEP P15144 1/20 0.31
▸ IDH1 O75874 1/20 0.31

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
SCHEMBL22866579 0.77 NT5E (0.52) NT5E
SCHEMBL22866535 0.77 NT5E (0.52) NT5E
SCHEMBL21839814 0.74 NT5E (0.62) NT5E
SCHEMBL23915079 0.74 NT5E (0.62) NT5E
SCHEMBL21839810 0.74 NT5E (0.62) NT5E
SCHEMBL30394001 0.70 NT5E (0.46) NT5E
SCHEMBL19370279 0.70 NT5E (0.62) NT5E
SCHEMBL22843594 0.70 NT5E (0.49) NT5EKCNN3
SCHEMBL22843558 0.70 NT5E (0.49) NT5EKCNN3
SCHEMBL22206515 0.69 NT5E (0.70) 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 3 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
US-20200115404-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS INC. 2020-04-16 — — 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 (3 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-20200115404-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E NT5E 3/4885KCNN3 1920/4885ANPEP 134/4885
US-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 NT5E 5/4885KCNN3 2338/4885ANPEP 373/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E NT5E 3/4885KCNN3 1920/4885ANPEP 134/4885

“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.

Send feedback