SCHEMBL17301045

SCHEMBL17301045

Cc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O)C2O)(c2ccccc2)c2ccc(C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 10/20 0.64
P2RY12 Q9H244 2/20 0.58
ADORA1 P30542 2/20 0.56
P2RY2 P41231 1/20 0.55
P2RY1 P47900 1/20 0.55
P2RY6 Q15077 1/20 0.55
DNPH1 O43598 1/20 0.55

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
SCHEMBL19485497 1.00 TYMP (0.64) TYMPP2RY12ADORA1P2RY2P2RY1
SCHEMBL9550751 0.96 TYMP (0.69) TYMPP2RY12ADORA1P2RY2P2RY1
SCHEMBL9024707 0.96 TYMP (0.69) TYMPP2RY12ADORA1P2RY2P2RY1
SCHEMBL29679722 0.92 TYMP (0.67) TYMPP2RY12ADORA1P2RY2P2RY1
SCHEMBL917680 0.92 TYMP (0.67) TYMPP2RY12ADORA1P2RY2P2RY1
SCHEMBL17304362 0.92 TYMP (0.67) TYMPP2RY12ADORA1P2RY2P2RY1
SCHEMBL19493363 0.92 TYMP (0.67) TYMPP2RY12ADORA1P2RY2P2RY1
SCHEMBL19493362 0.92 TYMP (0.67) TYMPP2RY12ADORA1P2RY2P2RY1
SCHEMBL8386141 0.92 TYMP (0.67) TYMPP2RY12ADORA1P2RY2P2RY1
SCHEMBL917678 0.92 TYMP (0.67) TYMPP2RY12ADORA1P2RY2P2RY1

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 208/4885P2RY12 291/4885ADORA1 438/4885

“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.