SCHEMBL19986573

SCHEMBL19986573

C#C[C@@]1(O)[C@H](F)[C@@](CF)(COP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)O[C@H]1n1cnc2c(N)ccnc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 2/20 0.34
▸ STING1 Q86WV6 3/20 0.33
▸ NT5E P21589 2/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32

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
SCHEMBL16368080 0.94 FAP (0.33) FAPSTING1NT5EADORA2AADORA2B
SCHEMBL19993729 0.90 FAP (0.45) FAPSTING1NT5EADORA2A
SCHEMBL16368112 0.87 FAP (0.35) FAPSTING1ADORA2AADORA2B
SCHEMBL17357699 0.85 FAP (0.38) FAPSTING1ADORA2AADORA2B
SCHEMBL16368193 0.84 FAP (0.44) FAPSTING1NT5EADORA2A
SCHEMBL16374082 0.84 FAP (0.44) FAPSTING1NT5EADORA2A
SCHEMBL16368111 0.81 NT5E (0.34) NT5EADORA2AADORA2B
SCHEMBL25566020 0.79 FAP (0.42) FAPSTING1NT5EADORA2A
SCHEMBL16368204 0.79 FAP (0.45) FAPSTING1NT5EADORA2A
SCHEMBL16368274 0.77 FAP (0.47) FAPSTING1ADORA2A

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-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2018-03-22 — — 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-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B FAP 1177/4885STING1 698/4885NT5E 6/4885

“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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