SCHEMBL18640255

SCHEMBL18640255

CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc([S+](C)[O-])cc3)cc2N=C(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 20/20 0.69
TLR7 Q9NYK1 3/20 0.49

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
SCHEMBL18640162 0.88 TLR8 (0.53) TLR8TLR7
SCHEMBL21912241 0.88 TLR8 (0.72) TLR8TLR7
SCHEMBL20662489 0.88 TLR8 (0.75) TLR8TLR7
SCHEMBL21592104 0.85 TLR8 (0.51) TLR8TLR7
SCHEMBL25688112 0.84 TLR8 (0.69) TLR8TLR7
SCHEMBL1589318 0.83 TLR8 (0.71) TLR8TLR7
SCHEMBL17843455 0.83 TLR8 (0.68) TLR8TLR7
SCHEMBL18659723 0.83 TLR8 (0.68) TLR8TLR7
SCHEMBL28472239 0.83 TLR8 (0.69) TLR8TLR7
SCHEMBL25688020 0.82 TLR8 (0.67) TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350168-B1 SULFINYLPHENYL OR SULFONIMIDOYLPHENYL BENZAZEPINES HOFFMANN LA ROCHE (CH) 2019-12-18 EP disclosed
US-10428027-B2 Sulfinylphenyl or sulfonimidoylphenyl benzazepines HOFFMANN LA-ROCHE INC. (US) 2019-10-01 US disclosed
US-10428027-B2 Sulfinylphenyl or sulfonimidoylphenyl benzazepines HOFFMANN LA-ROCHE INC. (US) 2019-10-01 US disclosed
EP-3350168-A1 SULFINYLPHENYL OR SULFONIMIDOYLPHENYL BENZAZEPINES H. Hoffnabb-La Roche Ag (CH) 2018-07-25 EP disclosed
US-20180194735-A1 Sulfinylphenyl or Sulfonimidoylphenyl Benzazepines HOFFMANN LA-ROCHE INC. (US) 2018-07-12 US disclosed
US-20180194735-A1 Sulfinylphenyl or Sulfonimidoylphenyl Benzazepines HOFFMANN LA-ROCHE INC. (US) 2018-07-12 US disclosed
US-20180194735-A1 Sulfinylphenyl or Sulfonimidoylphenyl Benzazepines HOFFMANN LA-ROCHE INC. (US) 2018-07-12 US disclosed
WO-2017046112-A1 SULFINYLPHENYL OR SULFONIMIDOYLPHENYL BENZAZEPINES F. HOFFMANN-LA ROCHE AG (CH) 2017-03-23 WO disclosed
WO-2017046112-A1 SULFINYLPHENYL OR SULFONIMIDOYLPHENYL BENZAZEPINES F. HOFFMANN-LA ROCHE AG (CH) 2017-03-23 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 (2 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-10428027-B2 Sulfinylphenyl or sulfonimidoylphenyl benzazepines TLR1, TLR4, TLR5 TLR8 9/4885TLR7 8/4885
US-20180194735-A1 Sulfinylphenyl or Sulfonimidoylphenyl Benzazepines TLR1, TLR4, TLR5 TLR8 9/4885TLR7 8/4885

“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.