SCHEMBL25808149

SCHEMBL25808149

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.46
▸ IMPDH2 P12268 6/20 0.44
▸ IMPDH1 P20839 2/20 0.44
▸ HINT1 P49773 3/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ TAS1R3 Q7RTX0 2/20 0.42
▸ TAS1R1 Q7RTX1 2/20 0.42
▸ ATIC P31939 1/20 0.40

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
SCHEMBL14156808 0.91 HPGD (0.57) HPGDPAX8ATIC
SCHEMBL25808153 0.85 IMPDH2 (0.35) HPGDIMPDH2IMPDH1HINT1PAX8
SCHEMBL14156804 0.79 TAS1R3 (0.40) TAS1R3TAS1R1
SCHEMBL22577548 0.78 TYMP (0.66) IMPDH2IMPDH1HINT1
SCHEMBL14156807 0.75 ALDH1A1 (0.54) HPGDHINT1TAS1R3TAS1R1
SCHEMBL12899836 0.74 HPGD (0.63) HPGDIMPDH2IMPDH1HINT1PAX8
SCHEMBL784543 0.73 HINT1 (0.72) HPGDIMPDH2IMPDH1HINT1
SCHEMBL14559271 0.73 HINT1 (0.72) HPGDIMPDH2IMPDH1HINT1
SCHEMBL22268191 0.73 HINT1 (0.72) HPGDIMPDH2IMPDH1HINT1
SCHEMBL19204426 0.73 HINT1 (0.72) HPGDIMPDH2IMPDH1HINT1

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 HPGD 1650/4885IMPDH2 1125/4885IMPDH1 579/4885

“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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