SCHEMBL23628824

SCHEMBL23628824

N#Cc1ccc(N2C[C@H](COS(=O)(=O)C(F)(F)F)[C@@H](C(F)(F)F)C2)c2nccnc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.41
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
NR1H2 P55055 2/20 0.30
NR1H3 Q13133 2/20 0.30
SCN9A Q15858 2/20 0.30
SCN5A Q14524 1/20 0.30
ACACB O00763 1/20 0.30

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
SCHEMBL23628796 0.82 TLR8 (0.45) TLR8TLR9TLR7ACACB
SCHEMBL30381563 0.81 TLR8 (0.41) TLR8TLR9TLR7SCN9ASCN5A
SCHEMBL21593939 0.81 TLR8 (0.41) TLR8TLR9TLR7SCN9ASCN5A
SCHEMBL23628877 0.80 TLR8 (0.52) TLR8TLR9TLR7PDE4APDE4C
SCHEMBL23628875 0.80 TLR8 (0.52) TLR8TLR9TLR7PDE4APDE4C
SCHEMBL23628876 0.80 TLR8 (0.52) TLR8TLR9TLR7PDE4APDE4C
SCHEMBL23628798 0.80 TLR8 (0.36) TLR8TLR9TLR7
SCHEMBL21776699 0.77 TLR8 (0.52) TLR8TLR9TLR7ACACB
SCHEMBL21776696 0.77 TLR8 (0.52) TLR8TLR9TLR7ACACB
SCHEMBL23628860 0.76 TLR8 (0.41) TLR8TLR9TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-08-19 US disclosed
EP-3847165-A1 NOVEL PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-14 EP 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-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE ARG1, PRMT1, PADI1 TLR8 1800/4885TLR9 308/4885TLR7 229/4885

“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.