SCHEMBL5344101

SCHEMBL5344101

CCCCS(=O)(=O)CCCCCn1c(CC2CC2)nc2c(N)nc(C)c(C)c21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.35
TLR8 Q9NR97 8/20 0.35
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5338444 0.99 TLR7 (0.36) TLR7TLR8CNR2
SCHEMBL5338894 0.96 TLR7 (0.36) TLR7TLR8CNR2
SCHEMBL4795327 0.90 TLR7 (0.37) TLR7TLR8
SCHEMBL5348449 0.89 TLR7 (0.38) TLR7TLR8CNR2
SCHEMBL4872079 0.87 TLR7 (0.40) TLR7TLR8
SCHEMBL4792435 0.87 TLR7 (0.43) TLR7TLR8KDM4EMEN1ALDH1A1
SCHEMBL4791472 0.86 TLR7 (0.46) TLR7TLR8
SCHEMBL4794364 0.86 TLR7 (0.41) TLR7TLR8
SCHEMBL4790757 0.86 TLR7 (0.44) TLR7TLR8KDM4EMEN1ALDH1A1
SCHEMBL4879754 0.86 TLR7 (0.35) 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 45/4885CNR2 2003/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP TLR7 93/4885TLR8 91/4885CNR2 2977/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 TLR7 33/4885TLR8 45/4885CNR2 2003/4885

“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.