SCHEMBL18174415

SCHEMBL18174415

COC(=O)/C=C/n1nnn(CCNCCn2nnn(/C=C/C(=O)OC)c2=O)c1=O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.63
HCAR2 Q8TDS4 2/20 0.34
KEAP1 Q14145 1/20 0.34
TNF P01375 1/20 0.34

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
SCHEMBL18174424 0.88 NFE2L2 (0.67) NFE2L2HCAR2KEAP1TNF
SCHEMBL18174422 0.88 NFE2L2 (0.67) NFE2L2HCAR2KEAP1TNF
SCHEMBL18174419 0.87 NFE2L2 (0.65) NFE2L2HCAR2KEAP1TNF
SCHEMBL18174425 0.87 NFE2L2 (0.65) NFE2L2HCAR2KEAP1TNF
SCHEMBL18174428 0.87 NFE2L2 (0.65) NFE2L2HCAR2KEAP1TNF
SCHEMBL18174392 0.87 NFE2L2 (0.65) NFE2L2HCAR2KEAP1TNF
SCHEMBL18174414 0.86 NFE2L2 (0.64) NFE2L2HCAR2KEAP1TNF
SCHEMBL18174460 0.85 NFE2L2 (0.63) NFE2L2HCAR2KEAP1TNF
SCHEMBL17507256 0.85 NFE2L2 (0.63) NFE2L2HCAR2KEAP1TNF
SCHEMBL18174438 0.84 NFE2L2 (0.66) NFE2L2HCAR2KEAP1TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180071271-A1 Fumarate Analogs and Uses Thereof MIDCAP FINANCIAL TRUST 2018-03-15 US disclosed
US-9801866-B2 Fumarate analogs and uses thereof Rigl Pharmaceutical, Inc. (US) 2017-10-31 US disclosed
US-20170065569-A1 Fumarate Analogs and Uses Thereof MIDCAP FINANCIAL TRUST 2017-03-09 US disclosed
US-9475781-B2 Fumarate analogs and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2016-10-25 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 (2 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-20180071271-A1 Fumarate Analogs and Uses Thereof FH, GLS, FPGS NFE2L2 205/4885HCAR2 737/4885KEAP1 344/4885
US-20170065569-A1 Fumarate Analogs and Uses Thereof FH, GLS, FPGS NFE2L2 205/4885HCAR2 737/4885KEAP1 344/4885

“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.