SCHEMBL21750418

SCHEMBL21750418

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.52
NT5E P21589 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
HPGD P15428 1/20 0.38
HINT1 P49773 1/20 0.36

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
SCHEMBL22577545 1.00 TYMP (0.52) TYMPNT5EKDM4ETAS1R3TAS1R1
SCHEMBL20481628 0.91 TYMP (0.52) TYMPNT5EKDM4ETAS1R3TAS1R1
SCHEMBL20474391 0.91 TYMP (0.52) TYMPNT5EKDM4ETAS1R3TAS1R1
SCHEMBL25379844 0.91 TYMP (0.51) TYMPNT5EKDM4ETAS1R3TAS1R1
SCHEMBL18490221 0.91 TYMP (0.51) TYMPNT5EKDM4ETAS1R3TAS1R1
SCHEMBL30524667 0.91 TYMP (0.51) TYMPNT5EKDM4ETAS1R3TAS1R1
SCHEMBL21878006 0.91 TYMP (0.51) TYMPNT5EKDM4ETAS1R3TAS1R1
SCHEMBL21750428 0.91 TYMP (0.51) TYMPNT5EKDM4ETAS1R3TAS1R1
SCHEMBL29881756 0.91 TYMP (0.51) TYMPNT5EKDM4ETAS1R3TAS1R1
SCHEMBL18490534 0.91 TYMP (0.51) TYMPNT5EKDM4ETAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2012/4885NT5E 1360/4885KDM4E 3925/4885

“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.