SCHEMBL25436741

SCHEMBL25436741

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.53
KDM4E B2RXH2 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
HPGD P15428 1/20 0.39
NT5E P21589 1/20 0.38
ADORA1 P30542 2/20 0.36
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
SCHEMBL20481728 0.95 TYMP (0.49) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL29049087 0.95 TYMP (0.57) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL18954959 0.95 TYMP (0.57) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL27154531 0.95 TYMP (0.57) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL17230951 0.95 TYMP (0.57) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL19493328 0.95 TYMP (0.57) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL18954960 0.95 TYMP (0.57) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL21591933 0.95 TYMP (0.57) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL1582220 0.95 TYMP (0.57) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL10276802 0.95 TYMP (0.57) TYMPKDM4ETAS1R3TAS1R1NT5E

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-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) 2023-09-28 US disclosed
EP-3936514-B1 3'3' CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) 2023-05-24 EP 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-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE STING1, CGAS, IRF3 TYMP 68/4885KDM4E 3233/4885TAS1R3 1487/4885

“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.