SCHEMBL4793992

SCHEMBL4793992

CCCC[S+]([O-])CCCCCn1c(COCC)nc2c(N)nc(C)c(C)c21

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.39
TLR8 Q9NR97 13/20 0.39
NUDT1 P36639 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
SCHEMBL4793760 0.99 TLR8 (0.40) TLR7TLR8NUDT1
SCHEMBL5336698 0.96 TLR8 (0.40) TLR7TLR8NUDT1
SCHEMBL4792783 0.90 TLR8 (0.40) TLR7TLR8NUDT1
SCHEMBL4793934 0.89 TLR8 (0.41) TLR7TLR8NUDT1
SCHEMBL4794032 0.88 TLR7 (0.40) TLR7TLR8
SCHEMBL4790953 0.87 TLR7 (0.48) TLR7TLR8
SCHEMBL4790937 0.87 TLR7 (0.44) TLR7TLR8
SCHEMBL4791283 0.87 TLR7 (0.39) TLR7TLR8
SCHEMBL4792635 0.86 TLR7 (0.42) TLR7TLR8
SCHEMBL4793183 0.86 TLR7 (0.47) TLR7TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
US-7220758-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-22 US disclosed
US-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2006-11-09 US disclosed
US-7125890-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-24 US disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors 3M INNOVATIVE PROPERTIES COMPANY 2005-02-10 US disclosed
US-6797718-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-28 US disclosed
US-20040010007-A1 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-15 US disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 WO 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 (3 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-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES IL2, IL4, MYD88 TLR7 33/4885TLR8 45/4885NUDT1 359/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP TLR7 93/4885TLR8 91/4885NUDT1 619/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 TLR7 33/4885TLR8 45/4885NUDT1 359/4885

“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.