SCHEMBL18009090

SCHEMBL18009090

COC(=O)/C=C/C(=O)OCC1NC(=O)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.39
NFE2L2 Q16236 3/20 0.39
KEAP1 Q14145 1/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CASP1 P29466 1/20 0.33
TSHR P16473 2/20 0.33
RGS12 O14924 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.32
HTT P42858 1/20 0.32
ADAM17 P78536 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
SCHEMBL18009123 1.00 HCAR2 (0.39) HCAR2NFE2L2KEAP1GAASMN1; SMN2
SCHEMBL18009125 1.00 HCAR2 (0.39) HCAR2NFE2L2KEAP1GAASMN1; SMN2
SCHEMBL18007465 0.92 GAA (0.39) HCAR2GAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL18007464 0.92 GAA (0.39) HCAR2GAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL18009344 0.92 GAA (0.39) HCAR2GAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL18009089 0.88 HCAR2 (0.47) HCAR2SMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL17969458 0.88 HCAR2 (0.42) HCAR2GAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL17966450 0.88 HCAR2 (0.42) HCAR2GAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL18202758 0.87 LMNA (0.32) HCAR2NFE2L2KEAP1GAASMN1; SMN2
SCHEMBL18009095 0.84 HTT (0.34) HCAR2GAASMN1; SMN2LMNAALDH1A1

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 5 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
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
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 HCAR2 290/4885NFE2L2 399/4885KEAP1 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.