SCHEMBL3968461

SCHEMBL3968461

CCOCc1nc2c(N)nc3ccccc3c2n1CCCNS(C)(=O)=O

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.76
TLR8 Q9NR97 9/20 0.64
NUDT1 P36639 1/20 0.60

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
SCHEMBL2744632 0.97 TLR7 (0.81) TLR7TLR8NUDT1
SCHEMBL728616 0.94 TLR7 (0.69) TLR7TLR8NUDT1
SCHEMBL5112177 0.91 TLR8 (0.73) TLR7TLR8NUDT1
SCHEMBL29182347 0.89 TLR7 (0.94) TLR7TLR8
SCHEMBL7249936 0.87 TLR8 (0.67) TLR7TLR8NUDT1
SCHEMBL13914495 0.87 TLR7 (0.63) TLR7TLR8NUDT1
Cpg-52852 SCHEMBL5999996 0.87 TLR7 (0.73) TLR7TLR8NUDT1
SCHEMBL18610770 0.87 TLR8 (0.70) TLR7TLR8NUDT1
SCHEMBL5367975 0.87 TLR8 (0.66) TLR7TLR8NUDT1
SCHEMBL3972423 0.87 TLR7 (0.79) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132762-A1 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-08 US claimed
US-20040106638-A1 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-06-03 US claimed
EP-1638566-A4 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-03-25 EP disclosed
US-7199131-B2 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-04-03 US disclosed
US-7199131-B2 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-04-03 US disclosed
US-7199131-B2 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-04-03 US disclosed
EP-1638566-A2 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-03-29 EP disclosed
US-20050197358-A1 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-09-08 US disclosed
US-6924293-B2 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-08-02 US disclosed
US-6888000-B2 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-03 US disclosed
WO-2005003064-A2 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-01-13 WO disclosed
WO-2005003065-A2 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-01-13 WO disclosed
US-20040132762-A1 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-08 US disclosed
US-20040106638-A1 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-06-03 US disclosed
US-6677349-B1 INDUCE CYTOKINE BIOSYNTHESIS; ANTICARCINOGENIC AGENTS, VIRICIDES 3M INNOVATIVE PROPERTIES COMPANY 2004-01-13 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-20050197358-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TLR7 59/4885TLR8 71/4885NUDT1 1569/4885
US-20040132762-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TLR7 59/4885TLR8 71/4885NUDT1 1569/4885
US-20040106638-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TLR7 59/4885TLR8 71/4885NUDT1 1569/4885

“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.