SCHEMBL18364279

SCHEMBL18364279

COC(=O)/C=C/C(=O)OC[C@H](C)NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ MTNR1A P48039 12/20 0.46
▸ MTNR1B P49286 12/20 0.46
▸ ACACB O00763 1/20 0.38
▸ ACACA Q13085 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ GFPT1 Q06210 1/20 0.36

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
SCHEMBL18364241 1.00 HCAR2 (0.46) HCAR2KEAP1NFE2L2MTNR1AMTNR1B
SCHEMBL18364237 1.00 HCAR2 (0.46) HCAR2KEAP1NFE2L2MTNR1AMTNR1B
SCHEMBL18412200 0.94 MTNR1A (0.50) HCAR2KEAP1NFE2L2MTNR1AMTNR1B
SCHEMBL18412225 0.94 MTNR1A (0.50) HCAR2KEAP1NFE2L2MTNR1AMTNR1B
SCHEMBL18364293 0.88 HCAR2 (0.48) HCAR2MTNR1AMTNR1BACACBACACA
SCHEMBL18364201 0.88 HCAR2 (0.48) HCAR2MTNR1AMTNR1BACACBACACA
SCHEMBL18406345 0.88 HCAR2 (0.48) HCAR2MTNR1AMTNR1BACACBACACA
SCHEMBL18364749 0.86 MTNR1A (0.44) HCAR2MTNR1AMTNR1BACACBACACA
SCHEMBL18406367 0.86 HCAR2 (0.47) HCAR2MTNR1AMTNR1BACACBACACA
SCHEMBL18364764 0.86 MTNR1A (0.44) HCAR2MTNR1AMTNR1BACACBACACA

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-20170022149-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 — — US disclosed
US-20170022149-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 — — US disclosed
US-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 — — 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-20170022149-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885KEAP1 468/4885NFE2L2 399/4885
US-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885KEAP1 468/4885NFE2L2 399/4885

“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.

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