SCHEMBL5333918

SCHEMBL5333918

CCCc1nc2c(N)ncc(C)c2n1CCCS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.35
TLR8 Q9NR97 5/20 0.35
CA2 P00918 2/20 0.33
PIK3CA P42336 1/20 0.32
ALOX5AP P20292 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.31

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
SCHEMBL4790566 0.97 TLR7 (0.36) TLR7TLR8CA2PIK3CAALOX5AP
SCHEMBL5343016 0.96 TLR7 (0.36) TLR7TLR8CA2PIK3CAALOX5AP
SCHEMBL4792552 0.96 TLR7 (0.40) TLR7TLR8
SCHEMBL4793675 0.93 TLR7 (0.42) TLR7TLR8
SCHEMBL4791751 0.93 TLR7 (0.37) TLR7TLR8CA2PIK3CAALOX5AP
SCHEMBL4790933 0.92 TLR7 (0.41) TLR7TLR8ALOX5AP
SCHEMBL4793728 0.91 PIK3CA (0.37) TLR7PIK3CA
SCHEMBL4791320 0.90 TLR7 (0.39) TLR7TLR8CA2PIK3CAALOX5AP
SCHEMBL5337200 0.89 TLR7 (0.38) TLR7TLR8CA2PIK3CAALOX5AP
SCHEMBL4791859 0.89 TLR8 (0.38) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 45/4885CA2 4028/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP TLR7 93/4885TLR8 91/4885CA2 3778/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 TLR7 33/4885TLR8 45/4885CA2 4028/4885

“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.