SCHEMBL18199448

SCHEMBL18199448

COC(=O)/C=C/C(=O)OCC(O)C(=O)OCC1CCC(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 18/20 0.35
IRAK1 P51617 1/20 0.33
MGLL Q99685 1/20 0.32
KCNH2 Q12809 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
SCHEMBL18009250 0.88 HCAR2 (0.38) IRAK4IRAK1MGLL
SCHEMBL18009233 0.88 HCAR2 (0.38) IRAK4IRAK1MGLL
SCHEMBL18009241 0.88 HCAR2 (0.38) IRAK4IRAK1MGLL
SCHEMBL18009354 0.81 MGLL (0.39) IRAK4IRAK1MGLL
SCHEMBL18202760 0.80 IRAK4 (0.35) IRAK4KCNH2
SCHEMBL18199445 0.80 KEAP1 (0.31)
SCHEMBL18014862 0.78 HCAR2 (0.42) IRAK4MGLL
SCHEMBL18014829 0.77 HCAR2 (0.39) IRAK4MGLLKCNH2
SCHEMBL18014839 0.76 HCAR2 (0.40) IRAK4IRAK1MGLL
SCHEMBL18202758 0.76 LMNA (0.32)

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-9598354-B2 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-03-21 US disclosed
US-20160318848-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2016-11-03 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-20160318848-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC IRAK4 2828/4885IRAK1 3007/4885MGLL 2792/4885

“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.