SCHEMBL2190802

SCHEMBL2190802

COC(=O)C=CC(=O)N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ HTT P42858 3/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HCAR2 Q8TDS4 2/20 0.48
▸ KEAP1 Q14145 1/20 0.48
▸ NFE2L2 Q16236 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GPX4 P36969 1/20 0.47
▸ CA2 P00918 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CHKA P35790 1/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ CHRNB3 Q05901 1/20 0.37
▸ CHRNA6 Q15825 1/20 0.37
▸ NPC1 O15118 2/20 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
SCHEMBL2190798 1.00 ALDH1A1 (0.53) ALDH1A1HTTMAPTHCAR2KEAP1
SCHEMBL25698382 0.82 ALDH1A1 (0.57) ALDH1A1HTTMAPTHCAR2KEAP1
SCHEMBL23823400 0.82 HCAR2 (0.45) ALDH1A1HTTMAPTHCAR2KEAP1
SCHEMBL27690911 0.82 HCAR2 (0.45) ALDH1A1HTTMAPTHCAR2KEAP1
SCHEMBL2189175 0.79 ALDH1A1 (0.62) ALDH1A1HTTMAPTHCAR2KEAP1
SCHEMBL2189172 0.79 ALDH1A1 (0.62) ALDH1A1HTTMAPTHCAR2KEAP1
SCHEMBL30333262 0.79 CA2 (0.43) MAPTCA2CA12CA1CA9
SCHEMBL12417796 0.79 CA2 (0.43) MAPTCA2CA12CA1CA9
SCHEMBL2609701 0.78 TPSAB1 (0.46) ALDH1A1MAPTHCAR2KEAP1NFE2L2
SCHEMBL28979818 0.78 HCAR2 (0.41) ALDH1A1HTTMAPTHCAR2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521447-B1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2017-06-14 — — EP disclosed
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-11-24 — — US disclosed
US-9289503-B2 Fatty acid fumarate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-03-22 — — US disclosed
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2015-08-27 — — US disclosed
US-8969354-B2 Fatty acid fumarate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-03-03 — — US disclosed
US-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-14 — — US disclosed
EP-2521447-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES Catabasis Pharmaceuticals, Inc. (US) 2012-11-14 — — EP disclosed
WO-2011085211-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-07-14 — — WO disclosed
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-07-14 — — 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 (4 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-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 ALDH1A1 972/4885HTT 199/4885MAPT 253/4885
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 ALDH1A1 972/4885HTT 199/4885MAPT 253/4885
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 ALDH1A1 972/4885HTT 199/4885MAPT 253/4885
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 ALDH1A1 972/4885HTT 199/4885MAPT 253/4885

“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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