SCHEMBL18396200

SCHEMBL18396200

CC(C)S(=O)(=O)NCCC(C(=O)O)=C(CCNS(=O)(=O)C(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.52
GRIA4 P48058 8/20 0.37
CA12 O43570 4/20 0.36
CA14 Q9ULX7 4/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
GRIA2 P42262 1/20 0.33
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31

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
SCHEMBL18396198 1.00 GRIA1 (0.52) GRIA1GRIA4CA12CA14CA7
SCHEMBL18395991 0.89 GRIA1 (0.59) GRIA1GRIA4CA12CA14CA7
SCHEMBL18395996 0.89 GRIA1 (0.59) GRIA1GRIA4CA12CA14CA7
SCHEMBL2842451 0.83 GRIA1 (0.56) GRIA1GRIA4CA12CA14CA7
SCHEMBL23182182 0.79 GRIA1 (0.56) GRIA1GRIA4CA12CA14CA7
SCHEMBL18395287 0.77 CA12 (0.39) CA12CA14CA7CA9FNTA
SCHEMBL18395291 0.77 CA12 (0.39) CA12CA14CA7CA9FNTA
SCHEMBL18396116 0.75 PTGES (0.38) CA12CA14CA7CA9FNTA
SCHEMBL18396121 0.75 PTGES (0.38) CA12CA14CA7CA9FNTA
SCHEMBL13610004 0.75 GRIA1 (0.75) GRIA1GRIA4GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170022153-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 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-20170022153-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC GRIA1 951/4885GRIA4 775/4885CA12 1851/4885

“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.