SCHEMBL21591933

SCHEMBL21591933

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)C(O)C2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.57
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
KDM4E B2RXH2 1/20 0.41
ADORA1 P30542 2/20 0.40
NT5E P21589 1/20 0.40
HINT1 P49773 1/20 0.40

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
SCHEMBL19493328 1.00 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL29049087 1.00 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL18954960 1.00 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL18954959 1.00 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL1582220 0.95 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL10276802 0.95 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL17230951 0.95 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL27154531 0.95 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL18954865 0.95 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL25436741 0.95 TYMP (0.53) TYMPTAS1R3TAS1R1KDM4EADORA1

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-10633411-B2 Pharmaceutical targeting of a mammalian cyclic di-nucleotide signaling pathway THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-04-28 US disclosed
US-10508129-B2 Pharmaceutical targeting of a mammalian cyclic di-nucleotide signaling pathway THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-12-17 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-10508129-B2 Pharmaceutical targeting of a mammalian cyclic di-nucleotide signaling pathway CGAS, GMPS, STING1 TYMP 221/4885TAS1R3 2859/4885TAS1R1 2908/4885
US-10633411-B2 Pharmaceutical targeting of a mammalian cyclic di-nucleotide signaling pathway CGAS, GMPS, STING1 TYMP 221/4885TAS1R3 2859/4885TAS1R1 2908/4885

“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.