SCHEMBL21854560

SCHEMBL21854560

COc1cc(C(=O)N2CCN(C(=O)O)CC2)ccc1Cc1c(C)nc(N)nc1NC(C)CCCO

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.50
TLR7 Q9NYK1 16/20 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
SCHEMBL854393 0.88 TLR7 (0.55) TLR8TLR7
SCHEMBL28697055 0.88 TLR7 (0.55) TLR8TLR7
SCHEMBL29351456 0.88 TLR7 (0.55) TLR8TLR7
SCHEMBL20515185 0.86 TLR8 (0.67) TLR8TLR7
SCHEMBL28627809 0.86 TLR8 (0.67) TLR8TLR7
SCHEMBL2850299 0.81 TLR7 (0.65) TLR8TLR7
SCHEMBL2847749 0.81 TLR7 (0.65) TLR8TLR7
SCHEMBL2850753 0.79 TLR7 (0.64) TLR8TLR7
SCHEMBL2843476 0.79 TLR7 (0.64) TLR8TLR7
SCHEMBL2844596 0.78 TLR7 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11253476-B2 Vaccine adjuvant formulation SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-02-22 US disclosed
US-20200121600-A1 VACCINE ADJUVANT FORMULATION Sumitomo Pharma Co., Ltd. (JP) 2020-04-23 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 (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-11253476-B2 Vaccine adjuvant formulation TLR7, TLR9, TLR5 TLR8 4/4885TLR7 1/4885
US-20200121600-A1 VACCINE ADJUVANT FORMULATION TLR7, TLR9, TLR5 TLR8 4/4885TLR7 1/4885

“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.