SCHEMBL22399447

SCHEMBL22399447

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ TAAR1 Q96RJ0 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HINT1 P49773 4/20 0.36
▸ STING1 Q86WV6 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ IMPDH2 P12268 4/20 0.35
▸ IMPDH1 P20839 2/20 0.35
▸ NT5E P21589 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
SCHEMBL20154861 0.86 KDM4E (0.47) KDM4ETAS1R3TAS1R1TAAR1ALDH1A1
SCHEMBL20154864 0.85 KDM4E (0.45) KDM4ETAS1R3TAS1R1TAAR1ALDH1A1
SCHEMBL22968506 0.81 KDM4E (0.43) KDM4ETAS1R3TAS1R1TAAR1ALDH1A1
SCHEMBL12714697 0.81 KDM4E (0.49) KDM4ETAS1R3TAS1R1TAAR1ALDH1A1
SCHEMBL19491653 0.81 TAS1R3 (0.51) KDM4ETAS1R3TAS1R1TAAR1ALDH1A1
SCHEMBL6397981 0.81 KDM4E (0.55) KDM4ETAS1R3TAS1R1ALDH1A1HINT1
SCHEMBL12714700 0.81 KDM4E (0.49) KDM4ETAS1R3TAS1R1TAAR1ALDH1A1
SCHEMBL29479242 0.81 KDM4E (0.55) KDM4ETAS1R3TAS1R1HINT1HPGD
SCHEMBL12714813 0.81 KDM4E (0.55) KDM4ETAS1R3TAS1R1ALDH1A1HINT1
SCHEMBL6397986 0.81 KDM4E (0.55) KDM4ETAS1R3TAS1R1ALDH1A1HINT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 — — US disclosed
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 — — 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 (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-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 KDM4E 4039/4885TAS1R3 406/4885TAS1R1 158/4885
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 KDM4E 4116/4885TAS1R3 453/4885TAS1R1 161/4885

“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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