SCHEMBL22215138

SCHEMBL22215138

CO[C@H](COCP(=O)(O)O)[C@@H](O)[C@@H](O)n1cnc2c(N3CCCCC3)nc(Cl)nc21

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 17/20 0.51
▸ HPRT1 P00492 2/20 0.38

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
SCHEMBL22215136 0.99 NT5E (0.52) NT5EHPRT1
SCHEMBL22214989 0.92 NT5E (0.55) NT5EHPRT1
SCHEMBL22214988 0.82 NT5E (0.54) NT5EHPRT1
SCHEMBL22215137 0.77 CDK1 (0.57) NT5E
SCHEMBL21882909 0.69 NT5E (0.34) NT5E
SCHEMBL23633935 0.69 NT5E (0.74) NT5E
SCHEMBL22206565 0.69 NT5E (0.98) NT5E
SCHEMBL22215059 0.69 NT5E (0.98) NT5E
SCHEMBL21882833 0.69 NT5E (0.39) NT5E
SCHEMBL24078902 0.68 NT5E (0.57) 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-11058704-B2 Inhibitors of adenosine 5′-nucleotidase ARCUS BIOSCIENCES, INC. (US) 2021-07-13 — — US disclosed
US-20200222441-A1 INHIBITORS OF ADENOSINE 5'-NUCLEOTIDASE ARCUS BIOSCIENCES, INC. 2020-07-16 — — 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 (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-11058704-B2 Inhibitors of adenosine 5′-nucleotidase ENTPD5, NT5C2, ENTPD1 NT5E 4/4885HPRT1 85/4885
US-20200222441-A1 INHIBITORS OF ADENOSINE 5'-NUCLEOTIDASE ENTPD5, NT5C2, ENTPD1 NT5E 4/4885HPRT1 82/4885

“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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