SCHEMBL22214989

SCHEMBL22214989

CO[C@H](COCP(=O)(O)O)[C@@H](O)[C@@H](O)n1cnc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 14/20 0.55
▸ HDAC1 Q13547 2/20 0.37
▸ HPRT1 P00492 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 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
SCHEMBL22215136 0.92 NT5E (0.52) NT5EHPRT1
SCHEMBL22215138 0.92 NT5E (0.51) NT5EHPRT1
SCHEMBL22214988 0.79 NT5E (0.54) NT5EHPRT1
SCHEMBL22215137 0.76 CDK1 (0.57) NT5ETDP1
SCHEMBL22206631 0.71 NT5E (1.00) NT5E
SCHEMBL22843564 0.70 NT5E (0.46) NT5EHDAC1PIK3CAMTORHDAC3
SCHEMBL24078877 0.69 NT5E (0.53) NT5EHDAC1
SCHEMBL30234409 0.68 NT5E (0.65) NT5E
SCHEMBL21882909 0.67 NT5E (0.34) NT5E
SCHEMBL1114163 0.67 STAT3 (0.50) NT5EHDAC1PIK3CAMTORHDAC2

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 4/4885HDAC1 2566/4885HPRT1 85/4885
US-20200222441-A1 INHIBITORS OF ADENOSINE 5'-NUCLEOTIDASE ENTPD5, NT5C2, ENTPD1 NT5E 4/4885HDAC1 2612/4885HPRT1 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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