SCHEMBL2189175

SCHEMBL2189175

COC(=O)C=CC(=O)N1CCN(C(=O)O)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.62
▸ MAPT P10636 4/20 0.62
▸ HTT P42858 3/20 0.62
▸ KDM4E B2RXH2 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ GPX4 P36969 1/20 0.51
▸ HCAR2 Q8TDS4 2/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.50
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ GPR183 P32249 1/20 0.35
▸ GFPT1 Q06210 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
SCHEMBL2189172 1.00 ALDH1A1 (0.62) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL25698382 0.84 ALDH1A1 (0.57) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL27216580 0.80 ALDH1A1 (0.47) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL2190802 0.79 ALDH1A1 (0.53) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL7397962 0.79 ALDH1A1 (0.56) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL2190798 0.79 ALDH1A1 (0.53) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL2193042 0.78 ALDH1A1 (0.51) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL2193039 0.78 ALDH1A1 (0.51) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL22961947 0.77 ALDH1A1 (0.50) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL26093310 0.75 ALDH1A1 (0.39) ALDH1A1MAPTHTTSMN1; SMN2HCAR2

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 972/4885MAPT 253/4885HTT 199/4885
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 ALDH1A1 972/4885MAPT 253/4885HTT 199/4885
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 ALDH1A1 972/4885MAPT 253/4885HTT 199/4885
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 ALDH1A1 972/4885MAPT 253/4885HTT 199/4885

“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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