SCHEMBL22301414

SCHEMBL22301414

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@@]3(CO)CO[C@H]3[C@H]2O)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ HPGD P15428 1/20 0.39
▸ TAAR1 Q96RJ0 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ADORA3 P0DMS8 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLA1 P09884 1/20 0.36
▸ HINT1 P49773 2/20 0.35
▸ STING1 Q86WV6 1/20 0.35
▸ IMPDH2 P12268 2/20 0.34
▸ IMPDH1 P20839 1/20 0.34

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
SCHEMBL22315148 0.89 KDM4E (0.50) KDM4ETAS1R3TAS1R1HPGDTAAR1
SCHEMBL7130816 0.89 KDM4E (0.50) KDM4ETAS1R3TAS1R1HPGDTAAR1
SCHEMBL1096061 0.89 KDM4E (0.50) KDM4ETAS1R3TAS1R1HPGDTAAR1
SCHEMBL19362145 0.89 KDM4E (0.50) KDM4ETAS1R3TAS1R1HPGDTAAR1
SCHEMBL22704912 0.88 KDM4E (0.51) KDM4ETAS1R3TAS1R1HPGDTAAR1
SCHEMBL26534322 0.88 KDM4E (0.51) KDM4ETAS1R3TAS1R1HPGDTAAR1
SCHEMBL27174748 0.84 KDM4E (0.51) KDM4ETAS1R3TAS1R1HPGDTAAR1
SCHEMBL26840501 0.84 KDM4E (0.48) KDM4ETAS1R3TAS1R1HPGDTAAR1
SCHEMBL25630004 0.84 KDM4E (0.47) KDM4ETAS1R3TAS1R1HPGDTAAR1
SCHEMBL26534325 0.83 KDM4E (0.49) KDM4ETAS1R3TAS1R1HPGDTAAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344644-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2024-06-26 — — EP disclosed
EP-3344644-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2024-06-26 — — EP disclosed
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 — — US disclosed
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 — — 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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 KDM4E 3981/4885TAS1R3 523/4885TAS1R1 203/4885

“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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