SCHEMBL22843453

SCHEMBL22843453

C/C=C(/COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](O)n1ncc2c(N[C@@H](C)c3ccccc3F)cc(Cl)nc21

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 15/20 0.60
▸ TNF P01375 3/20 0.31
▸ GGPS1 O95749 1/20 0.30
▸ SCN1A P35498 1/20 0.30
▸ SCN5A Q14524 1/20 0.30
▸ SCN8A Q9UQD0 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
SCHEMBL22843458 0.94 NT5E (0.53) NT5ETNF
SCHEMBL22843613 0.91 NT5E (0.50) NT5E
SCHEMBL22843558 0.90 NT5E (0.49) NT5E
SCHEMBL22843594 0.90 NT5E (0.49) NT5E
SCHEMBL22866583 0.89 NT5E (0.62) NT5ETNFGGPS1
SCHEMBL22843457 0.89 NT5E (0.59) NT5EGGPS1
SCHEMBL22843499 0.88 NT5E (0.59) NT5E
SCHEMBL22843493 0.88 NT5E (0.59) NT5E
SCHEMBL22843481 0.80 NT5E (0.47) NT5E
SCHEMBL22866535 0.79 NT5E (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200405629-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS ARCUS BIOSCIENCES, INC. 2020-12-31 — — 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 (1 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-20200405629-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS NT5C2, ADA, ENTPD1 NT5E 10/4885TNF 1354/4885GGPS1 819/4885

“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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