SCHEMBL4122208

SCHEMBL4122208

CCOCc1nc2cnc3ccccc3c2n1CC(C)(C)NC(=O)CCCCCNC(=O)CCSSc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.48
TLR8 Q9NR97 7/20 0.48
NUDT1 P36639 1/20 0.37
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
ALPL P05186 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ENPP2 Q13822 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4126552 0.89 TLR7 (0.62) TLR7TLR8NUDT1
SCHEMBL4127741 0.86 TLR7 (0.53) TLR7TLR8NUDT1KMT2AALPL
SCHEMBL4769814 0.85 TLR7 (0.52) TLR7TLR8NUDT1KMT2AALPL
SCHEMBL4142764 0.83 TLR7 (0.60) TLR7TLR8NUDT1
SCHEMBL4129216 0.83 TLR7 (0.49) TLR7TLR8NUDT1KMT2AALPL
SCHEMBL5068477 0.82 TLR7 (0.51) TLR7TLR8NUDT1
SCHEMBL4122028 0.81 TLR7 (0.48) TLR7TLR8NUDT1LMNA
SCHEMBL18166856 0.79 TLR7 (0.44) TLR7TLR8NUDT1LMNAHDAC6
SCHEMBL4124564 0.78 TLR7 (0.49) TLR7TLR8NUDT1HDAC6
SCHEMBL3895075 0.77 TLR7 (0.48) TLR7TLR8NUDT1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472420-B2 Immune response modifier conjugates 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-11-12 US disclosed
US-10472420-B2 Immune response modifier conjugates 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-11-12 US disclosed
EP-3085373-A1 IMMUNE RESPONSE MODIFIER CONJUGATES 3M Innovative Properties Company (US) 2016-10-26 EP disclosed
US-20150141625-A1 IMMUNE RESPONSE MODIFIER CONJUGATES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-05-21 US disclosed
US-20150141625-A1 IMMUNE RESPONSE MODIFIER CONJUGATES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-05-21 US disclosed
US-8951528-B2 Immune response modifier conjugates 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-02-10 US disclosed
US-8951528-B2 Immune response modifier conjugates 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-02-10 US disclosed
US-8951528-B2 Immune response modifier conjugates 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-02-10 US disclosed
US-20090035323-A1 IMMUNE RESPONSE MODIFIER CONJUGATES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2009-02-05 US disclosed
US-20090035323-A1 IMMUNE RESPONSE MODIFIER CONJUGATES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2009-02-05 US disclosed
US-20090035323-A1 IMMUNE RESPONSE MODIFIER CONJUGATES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2009-02-05 US disclosed
WO-2007100634-A2 IMMUNE RESPONSE MODIFIER CONJUGATES 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-07 WO disclosed
US-20060142202-A1 Compositions and methods for targeted delivery of immune response modifiers 3M INNOVATIVE PROPERTIES COMPANY 2006-06-29 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-20150141625-A1 IMMUNE RESPONSE MODIFIER CONJUGATES IFNG, CD74, MYD88 TLR7 92/4885TLR8 71/4885NUDT1 3151/4885
US-20060142202-A1 Compositions and methods for targeted delivery of immune response modifiers CD47, IFNG, CLEC4M TLR7 84/4885TLR8 57/4885NUDT1 4367/4885
US-20090035323-A1 IMMUNE RESPONSE MODIFIER CONJUGATES IFNG, CD74, MYD88 TLR7 92/4885TLR8 71/4885NUDT1 3151/4885
US-10472420-B2 Immune response modifier conjugates IFNG, CD74, MYD88 TLR7 92/4885TLR8 71/4885NUDT1 3151/4885

“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.