SCHEMBL22577570

SCHEMBL22577570

CC(C)[Si](O[C@@H]1[C@H](O[PH](=O)O)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c3nccn3c21)(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.34
▸ IMPDH2 P12268 5/20 0.32
▸ IMPDH1 P20839 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ TAS1R3 Q7RTX0 2/20 0.31
▸ TAS1R1 Q7RTX1 2/20 0.31
▸ ADORA1 P30542 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
SCHEMBL25808153 0.83 IMPDH2 (0.35) HPGDIMPDH2IMPDH1PAX8TAS1R3
SCHEMBL22577502 0.83 TYMP (0.46) HPGDIMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL22577573 0.77 KDM4E (0.41) KDM4ETAS1R3TAS1R1
SCHEMBL14156808 0.76 HPGD (0.57) HPGDPAX8ADORA1
SCHEMBL22577600 0.75 TYMP (0.44) —
SCHEMBL22577504 0.73 TYMP (0.54) IMPDH2IMPDH1TAS1R3TAS1R1ADORA1
SCHEMBL25808149 0.71 HPGD (0.46) HPGDIMPDH2IMPDH1PAX8TAS1R3
SCHEMBL14156807 0.71 ALDH1A1 (0.54) HPGDKDM4ETAS1R3TAS1R1
SCHEMBL22577556 0.67 — —
SCHEMBL18992534 0.67 KDM4E (0.52) HPGDIMPDH2IMPDH1KDM4ETAS1R3

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 3 patents. 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
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 — — US disclosed
EP-3727401-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-10-28 — — EP 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 (2 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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 HPGD 1717/4885IMPDH2 1168/4885IMPDH1 596/4885
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.

Send feedback