SCHEMBL21750464

SCHEMBL21750464

COc1ccc(C(OCC2OC(n3cnc4c(NC(=O)c5ccccc5)ncnc43)C(F)C2OC(=O)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.51
P2RX3 P56373 1/20 0.45
P2RX4 Q99571 1/20 0.45
P2RX2 Q9UBL9 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
ADORA1 P30542 1/20 0.42
ENPP1 P22413 1/20 0.42
P2RY12 Q9H244 1/20 0.42
LMNA P02545 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
NT5E P21589 1/20 0.41

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
SCHEMBL21750463 1.00 TYMP (0.51) TYMPP2RX3P2RX4P2RX2PRMT6
SCHEMBL27135325 0.92 TYMP (0.56) TYMPADORA1ENPP1P2RY12ADORA2A
SCHEMBL27028364 0.92 TYMP (0.56) TYMPADORA1ENPP1P2RY12ADORA2A
SCHEMBL21284182 0.91 TYMP (0.48) TYMPPRMT6ADORA1P2RY12ADORA2A
SCHEMBL20806099 0.91 TYMP (0.48) TYMPPRMT6ADORA1P2RY12ADORA2A
SCHEMBL22034198 0.91 TYMP (0.50) TYMPPRMT6ADORA1P2RY12ADORA2A
SCHEMBL29792969 0.91 TYMP (0.49) TYMPPRMT6ADORA1P2RY12ADORA2A
SCHEMBL22034202 0.91 TYMP (0.49) TYMPPRMT6ADORA1P2RY12ADORA2A
SCHEMBL18917304 0.91 TYMP (0.49) TYMPPRMT6ADORA1P2RY12ADORA2A
SCHEMBL21245356 0.90 TYMP (0.58) TYMPADORA1P2RY12ADORA2AADORA2B

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
EP-3621624-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2023-08-30 EP disclosed
US-11466047-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2022-10-11 US 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 (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-11466047-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 TYMP 2012/4885P2RX3 111/4885P2RX4 147/4885
US-20200062798-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TYMP 2012/4885P2RX3 111/4885P2RX4 147/4885

“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.