SCHEMBL4320463

SCHEMBL4320463

CCc1nc2cnc3ccccc3c2n1CCCS(N)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.50
TLR8 Q9NR97 1/20 0.40
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PDE10A Q9Y233 1/20 0.36
TSHR P16473 2/20 0.36
RECQL P46063 1/20 0.36
MAPK1 P28482 1/20 0.36
PTK2B Q14289 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL4317408 0.97 TLR7 (0.52) TLR7TLR8MAPTTP53GAA
SCHEMBL4322445 0.87 TLR7 (0.44) TLR7TLR8MAPTTP53GAA
SCHEMBL5797746 0.87 TLR7 (0.46) TLR7TLR8MAPTTP53GAA
SCHEMBL5349584 0.85 TLR7 (0.52) TLR7TLR8MAPTTP53GAA
SCHEMBL4310270 0.85 TLR7 (0.47) TLR7TLR8MAPTTP53GAA
SCHEMBL4315914 0.85 TLR8 (0.47) TLR7TLR8MAPTSMN1; SMN2TSHR
SCHEMBL5354699 0.85 TLR7 (0.47) TLR7TLR8MAPTTP53GAA
SCHEMBL4317829 0.84 TLR8 (0.46) TLR7TLR8MAPTTSHRMEN1
SCHEMBL20796976 0.84 TLR7 (0.46) TLR7TLR8MAPTTP53GAA
SCHEMBL4322798 0.84 TLR7 (0.46) TLR7TLR8MAPTTP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735421-B2 Imidazoquinolinyl sulfonamides 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-05-27 US disclosed
US-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES 3M INNOVATIVE PROPERTIES COMPANY 2009-03-05 US disclosed
CN-101014596-A Imidazoquinolinylsulfonamides, imidazopyridinylsulfonamides, and imidazo-1, 5-naphthyridinylsulfonamides 3M INNOVATIVE PROPERTIES CO (US) 2007-08-08 CN disclosed
EP-1699788-A2 IMIDAZOQUINOLINYL, IMIDAZOPYRIDINYL AND IMIDAZONAPHTHYRIDINYL SULFONAMIDES 3M Innovative Properties Company (US) 2006-09-13 EP disclosed
WO-2005066169-A2 IMIDAZOQUINOLINYL, IMIDAZOPYRIDINYL, AND IMIDAZONAPHTHYRIDINYL SULFONAMIDES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 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 (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-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES IL2, EIF2AK2, IFNG TLR7 167/4885TLR8 106/4885MAPT 4565/4885

“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.