SCHEMBL21750428

SCHEMBL21750428

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](OP(=O)(O)O)C2F)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 9/20 0.51
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
KDM4E B2RXH2 1/20 0.42
IMPDH2 P12268 4/20 0.41
IMPDH1 P20839 1/20 0.41
NT5E P21589 1/20 0.41
HPGD P15428 1/20 0.38

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
SCHEMBL20474391 0.91 TYMP (0.52) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL20481628 0.91 TYMP (0.52) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL21750418 0.91 TYMP (0.52) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL22577545 0.91 TYMP (0.52) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL25379844 0.90 TYMP (0.51) TYMPTAS1R3TAS1R1KDM4EIMPDH2
SCHEMBL18490221 0.90 TYMP (0.51) TYMPTAS1R3TAS1R1KDM4EIMPDH2
SCHEMBL30524667 0.90 TYMP (0.51) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL21878006 0.90 TYMP (0.51) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL29881756 0.90 TYMP (0.51) TYMPTAS1R3TAS1R1KDM4EIMPDH2
SCHEMBL18490534 0.90 TYMP (0.51) TYMPTAS1R3TAS1R1KDM4EIMPDH2

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
EP-3621624-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2023-08-30 EP disclosed
US-20200062798-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-02-27 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-20200062798-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TYMP 2012/4885TAS1R3 443/4885TAS1R1 164/4885

“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.