SCHEMBL21591932

SCHEMBL21591932

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.43
KDM4E B2RXH2 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
HPGD P15428 1/20 0.32
NT5E P21589 1/20 0.32
HINT1 P49773 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL19493308 1.00 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL18927167 1.00 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL17304163 1.00 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL18954874 1.00 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL21073923 1.00 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL668541 0.98 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL19493331 0.97 TYMP (0.41) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL19485496 0.95 KDM4E (0.38) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL17301037 0.95 KDM4E (0.38) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL23138150 0.93 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308216-A1 PHARMACEUTICAL TARGETING OF A MAMMALIAN CYCLIC DI-NUCLEOTIDE SIGNALING PATHWAY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-01 US disclosed
US-10696710-B2 Pharmaceutical targeting of a mammalian cyclic di-nucleotide signaling pathway THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-06-30 US disclosed
US-20200140477-A1 PHARMACEUTICAL TARGETING OF A MAMMALIAN CYCLIC DI-NUCLEOTIDE SIGNALING PATHWAY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-05-07 US disclosed
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 (5 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-20200308216-A1 PHARMACEUTICAL TARGETING OF A MAMMALIAN CYCLIC DI-NUCLEOTIDE SIGNALING PATHWAY CGAS, GMPS, STING1 TYMP 221/4885KDM4E 4753/4885TAS1R3 2859/4885
US-10508129-B2 Pharmaceutical targeting of a mammalian cyclic di-nucleotide signaling pathway CGAS, GMPS, STING1 TYMP 221/4885KDM4E 4753/4885TAS1R3 2859/4885
US-20200140477-A1 PHARMACEUTICAL TARGETING OF A MAMMALIAN CYCLIC DI-NUCLEOTIDE SIGNALING PATHWAY CGAS, GMPS, STING1 TYMP 221/4885KDM4E 4753/4885TAS1R3 2859/4885
US-10696710-B2 Pharmaceutical targeting of a mammalian cyclic di-nucleotide signaling pathway CGAS, GMPS, STING1 TYMP 221/4885KDM4E 4753/4885TAS1R3 2859/4885
US-10633411-B2 Pharmaceutical targeting of a mammalian cyclic di-nucleotide signaling pathway CGAS, GMPS, STING1 TYMP 221/4885KDM4E 4753/4885TAS1R3 2859/4885

“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.