SCHEMBL17301040

SCHEMBL17301040

Cc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@@H](O)C2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.49
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
KDM4E B2RXH2 1/20 0.42
ADORA1 P30542 2/20 0.41
NT5E P21589 1/20 0.41
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
SCHEMBL19485501 1.00 TYMP (0.49) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL17301041 0.95 TYMP (0.49) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL19485511 0.95 TYMP (0.49) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL29049087 0.94 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL21591933 0.94 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL18954960 0.94 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL18954959 0.94 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL19493328 0.94 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL17301046 0.91 TYMP (0.42) TYMPTAS1R3TAS1R1KDM4EADORA1
SCHEMBL17301039 0.91 TYMP (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150343056-A1 PHARMACEUTICAL TARGETING OF A MAMMALIAN CYCLIC DI-NUCLEOTIDE SIGNALING PATHWAY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-12-03 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-20150343056-A1 PHARMACEUTICAL TARGETING OF A MAMMALIAN CYCLIC DI-NUCLEOTIDE SIGNALING PATHWAY CGAS, GMPS, STING1 TYMP 208/4885TAS1R3 2882/4885TAS1R1 2919/4885

“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.