SCHEMBL25813664

SCHEMBL25813664

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 6/20 0.51
▸ NT5E P21589 1/20 0.49
▸ HPGD P15428 1/20 0.47
▸ GSK3A P49840 2/20 0.47
▸ RPS6KA3 P51812 2/20 0.47
▸ MAPK14 Q16539 2/20 0.47
▸ TGM2 P21980 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ PNP P00491 1/20 0.45
▸ STING1 Q86WV6 1/20 0.45
▸ KRAS P01116 4/20 0.44
▸ FUT5 Q11128 1/20 0.43

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
SCHEMBL22577507 1.00 HINT1 (0.51) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL27216242 1.00 HINT1 (0.51) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL25613000 0.95 HINT1 (0.49) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL16844106 0.95 HINT1 (0.49) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL24377170 0.92 HINT1 (0.58) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL20017125 0.92 STING1 (0.49) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL20547910 0.92 STING1 (0.49) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL31036945 0.92 STING1 (0.49) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL24377171 0.92 STING1 (0.49) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL26276126 0.92 STING1 (0.49) HINT1NT5EHPGDGSK3ARPS6KA3

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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 — — 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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 HINT1 403/4885NT5E 1586/4885HPGD 1650/4885

“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.

Send feedback