SCHEMBL802971

SCHEMBL802971

CC(C)[Si]1(C(C)C)OC[C@@]23CN(C)OC([C@H](n4cnc5c(=O)[nH]c(N)nc54)O2)[C@H]3O[Si](C(C)C)(C(C)C)O1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 13/20 0.39
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37

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
SCHEMBL802664 0.87 TAS1R3 (0.42) STING1
SCHEMBL803169 0.86 NT5E (0.33) —
SCHEMBL802593 0.83 PI4KA (0.39) STING1
SCHEMBL15478065 0.83 PI4KA (0.39) STING1
SCHEMBL802642 0.78 — —
SCHEMBL802588 0.77 ADORA3 (0.35) —
SCHEMBL25968862 0.77 TK1 (0.34) —
SCHEMBL9961281 0.74 STING1 (0.37) STING1
SCHEMBL802564 0.74 PRMT6 (0.38) —
SCHEMBL9964274 0.73 STING1 (0.60) STING1PDE3BPDE3A

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-8653254-B2 Process for producing nucleoside TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-18 — — US disclosed
US-20120071646-A1 PROCESS FOR PRODUCING NUCLEOSIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 — — 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-20120071646-A1 PROCESS FOR PRODUCING NUCLEOSIDE NUDT1, PNP, HPRT1 STING1 664/4885PDE3B 1123/4885PDE3A 1507/4885

“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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