SCHEMBL18009296

SCHEMBL18009296

COC(=O)/C=C/C(=O)OC1CC(=O)N(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.41
HCAR2 Q8TDS4 2/20 0.41
KEAP1 Q14145 1/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
BRD4 O60885 2/20 0.35
HTT P42858 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GPBAR1 Q8TDU6 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
SCHEMBL18007461 1.00 NFE2L2 (0.41) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL18009289 1.00 NFE2L2 (0.41) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL18009306 0.94 GAA (0.36) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL17969499 0.88 ATM (0.39) HCAR2ALDH1A1MAPTGAAKDM4E
SCHEMBL17969500 0.88 ATM (0.39) HCAR2ALDH1A1MAPTGAAKDM4E
SCHEMBL18014906 0.85 NFE2L2 (0.38) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL18014908 0.85 KDM4E (0.31) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL18009285 0.82 NFE2L2 (0.36) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL18014902 0.81 GAA (0.39) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL5429332 0.81 TSHR (0.33) ALDH1A1MAPTGAAKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630934-B2 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 US disclosed
WO-2016127186-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-08-11 WO disclosed
US-20160229819-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2016-08-11 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-20160229819-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC NFE2L2 399/4885HCAR2 290/4885KEAP1 468/4885

“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.