SCHEMBL5106887

SCHEMBL5106887

CCc1nc2c(N)nc3ccccc3c2n1CCOCCNS(C)(=O)=O

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.77
TLR8 Q9NR97 7/20 0.60
NUDT1 P36639 1/20 0.46

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
SCHEMBL5112177 0.92 TLR8 (0.73) TLR7TLR8NUDT1
SCHEMBL5113123 0.90 TLR7 (0.62) TLR7TLR8
SCHEMBL1895870 0.89 TLR7 (0.66) TLR7TLR8NUDT1
SCHEMBL5109100 0.88 TLR7 (0.60) TLR7TLR8NUDT1
SCHEMBL29182347 0.88 TLR7 (0.94) TLR7TLR8
Cpg-52852 SCHEMBL483385 0.87 TLR7 (1.00) TLR7TLR8
Cpg-52852 SCHEMBL29371102 0.87 TLR7 (1.00) TLR7TLR8
SCHEMBL13999936 0.85 TLR8 (0.70) TLR7TLR8NUDT1
SCHEMBL13999853 0.84 TLR7 (0.63) TLR7TLR8
SCHEMBL5113045 0.84 TLR8 (0.82) TLR7TLR8NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050148620-A1 Sulfonamido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-07-07 US claimed
US-20040097542-A1 Sulfonamido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-05-20 US claimed
US-6677347-B2 ANTICARCINOGENIC AND ANTITUMOR AGENTS; VIRICIDED, IMMUNOMODULATORS 3M INNOVATIVE PROPERTIES COMPANY 2004-01-13 US claimed
US-20030139441-A1 Sulfonamido ether substituted imidazoquinolines UBS AG, STAMFORD BRANCH 2003-07-24 US claimed
US-20080306252-A1 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-12-11 US disclosed
US-20080306252-A1 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-12-11 US disclosed
US-20080306252-A1 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-12-11 US disclosed
US-20050148620-A1 Sulfonamido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-07-07 US disclosed
US-20040097542-A1 Sulfonamido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-05-20 US disclosed
US-6677347-B2 ANTICARCINOGENIC AND ANTITUMOR AGENTS; VIRICIDED, IMMUNOMODULATORS 3M INNOVATIVE PROPERTIES COMPANY 2004-01-13 US disclosed
US-20030139441-A1 Sulfonamido ether substituted imidazoquinolines UBS AG, STAMFORD BRANCH 2003-07-24 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 (4 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-20080306252-A1 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES IFNG, IRF3, IL2 TLR7 24/4885TLR8 50/4885NUDT1 1582/4885
US-20050148620-A1 Sulfonamido ether substituted imidazoquinolines IFNG, IRF3, IL2 TLR7 24/4885TLR8 50/4885NUDT1 1582/4885
US-20030139441-A1 Sulfonamido ether substituted imidazoquinolines IFNG, IRF3, IL2 TLR7 24/4885TLR8 50/4885NUDT1 1582/4885
US-20040097542-A1 Sulfonamido ether substituted imidazoquinolines IFNG, IRF3, IL2 TLR7 24/4885TLR8 50/4885NUDT1 1582/4885

“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.