SCHEMBL21977964

SCHEMBL21977964

COC(=O)C=COC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.55
HCAR2 Q8TDS4 2/20 0.55
KEAP1 Q14145 1/20 0.55
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TYR P14679 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
GFPT1 Q06210 1/20 0.35
ALDH1A1 P00352 5/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
PARP1 P09874 1/20 0.33
PARP15 Q460N3 1/20 0.33

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
SCHEMBL26622289 0.78 NFE2L2 (0.57) NFE2L2HCAR2KEAP1CA12CA1
SCHEMBL19204878 0.75
SCHEMBL19204879 0.75
SCHEMBL37098 0.74
SCHEMBL14757680 0.74
SCHEMBL37097 0.74
SCHEMBL27898612 0.73 NFE2L2 (0.50) NFE2L2HCAR2KEAP1CA12CA1
Dimethyl Fumarate SCHEMBL41836 0.73 NFE2L2 (1.00) NFE2L2HCAR2KEAP1CA12CA1
Dimethyl Maleate SCHEMBL75864 0.73 NFE2L2 (1.00) NFE2L2HCAR2KEAP1CA12CA1
Dimethyl Fumarate SCHEMBL11668350 0.73 NFE2L2 (1.00) NFE2L2HCAR2KEAP1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200164065-A1 TRITERPENE SAPONIN ANALOGUES ADJUVANCE TECHNOLOGIES, INC. (US) 2020-05-28 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 (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-20200164065-A1 TRITERPENE SAPONIN ANALOGUES LSS, NFATC1, PGGT1B NFE2L2 1789/4885HCAR2 1369/4885KEAP1 1533/4885

“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.