SCHEMBL18009291

SCHEMBL18009291

O=C(O)/C=C/C(=O)OC1CC(=O)NC1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
HCAR2 Q8TDS4 6/20 0.34
MAP3K14 Q99558 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA4 P13612 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
TSHR P16473 2/20 0.30
TP53 P04637 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
EGLN3 Q9H6Z9 1/20 0.30
THRB P10828 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL18015890 0.93 MAP3K14 (0.38) MAP3K14DDB1CRBNTSHR
SCHEMBL18009272 0.85 NFE2L2 (0.42) HCAR2MAP3K14DDB1CRBNTSHR
SCHEMBL18009265 0.85 NFE2L2 (0.42) HCAR2MAP3K14DDB1CRBNTSHR
SCHEMBL18009277 0.85 NFE2L2 (0.42) HCAR2MAP3K14DDB1CRBNTSHR
SCHEMBL18014905 0.84 ATM (0.36) ATMHCAR2
SCHEMBL18014907 0.84 MAP3K14 (0.32) MAP3K14
SCHEMBL18009268 0.83 DDB1 (0.34) MAP3K14DDB1CRBNTSHRCYP2C9
SCHEMBL18007411 0.82 DDB1 (0.44) DDB1CRBNTSHR
SCHEMBL18009269 0.81 HCAR2 (0.42) HCAR2
SCHEMBL18009171 0.81 MEN1 (0.30) MAP3K14

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 ATM 4406/4885HCAR2 290/4885MAP3K14 4241/4885

“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.