SCHEMBL25808153

SCHEMBL25808153

CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c4nccn4c32)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 6/20 0.35
▸ IMPDH1 P20839 2/20 0.35
▸ TAS1R3 Q7RTX0 3/20 0.35
▸ TAS1R1 Q7RTX1 3/20 0.35
▸ HINT1 P49773 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ADORA1 P30542 1/20 0.32
▸ GART P22102 1/20 0.32
▸ ATIC P31939 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ NT5E P21589 1/20 0.31

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
SCHEMBL25808149 0.85 HPGD (0.46) IMPDH2IMPDH1TAS1R3TAS1R1HINT1
SCHEMBL22577570 0.83 HPGD (0.34) IMPDH2IMPDH1TAS1R3TAS1R1HPGD
SCHEMBL22577504 0.81 TYMP (0.54) IMPDH2IMPDH1TAS1R3TAS1R1ADORA1
SCHEMBL14156808 0.77 HPGD (0.57) HPGDADORA1ATICPAX8
SCHEMBL14156807 0.74 ALDH1A1 (0.54) TAS1R3TAS1R1HINT1HPGD
SCHEMBL22577502 0.73 TYMP (0.46) IMPDH2IMPDH1TAS1R3TAS1R1HPGD
SCHEMBL16016760 0.73 SLC28A1 (0.52) —
SCHEMBL16016758 0.73 SLC28A1 (0.52) —
SCHEMBL14418621 0.69 LMNA (0.40) —
SCHEMBL25807900 0.68 ADK (0.31) —

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 IMPDH2 1125/4885IMPDH1 579/4885TAS1R3 534/4885

“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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