SCHEMBL2191028

SCHEMBL2191028

COC(=O)C=CC(=O)NCCN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.54
HCAR2 Q8TDS4 2/20 0.52
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
ZDHHC20 Q5W0Z9 2/20 0.40
ZDHHC2 Q9UIJ5 2/20 0.40
ALDH1A1 P00352 5/20 0.37
TAAR1 Q96RJ0 1/20 0.37
PARP1 P09874 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
MAPT P10636 4/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 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
SCHEMBL2191019 1.00 GFPT1 (0.54) GFPT1HCAR2KEAP1NFE2L2ZDHHC20
SCHEMBL14771272 0.85 GFPT1 (0.49) GFPT1HCAR2KEAP1NFE2L2ZDHHC20
SCHEMBL2191262 0.84 GFPT1 (0.47) GFPT1HCAR2KEAP1NFE2L2ZDHHC20
SCHEMBL2191258 0.84 GFPT1 (0.47) GFPT1HCAR2KEAP1NFE2L2ZDHHC20
SCHEMBL12508120 0.83 HCAR2 (0.50) GFPT1HCAR2ZDHHC20ZDHHC2ALDH1A1
SCHEMBL2192470 0.83 GFPT1 (0.46) GFPT1HCAR2KEAP1NFE2L2ZDHHC20
SCHEMBL14771193 0.83 GFPT1 (0.46) GFPT1HCAR2KEAP1NFE2L2ZDHHC20
SCHEMBL2192464 0.83 GFPT1 (0.46) GFPT1HCAR2KEAP1NFE2L2ZDHHC20
SCHEMBL14771205 0.83 GFPT1 (0.46) GFPT1HCAR2KEAP1NFE2L2ZDHHC20
SCHEMBL11531150 0.82 HCAR2 (0.54) GFPT1HCAR2KEAP1NFE2L2ZDHHC20

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 13 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
EP-2949344-A2 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES Catabasis Pharmaceuticals, Inc. (US) 2015-12-02 EP 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-20140315786-A1 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES CATABASIS PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
EP-2685969-A2 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES Catabasis Pharmaceuticals, Inc. (US) 2014-01-22 EP 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-2012129112-A2 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES CATABASIS PHARMACEUTICALS, INC. (US) 2012-09-27 WO 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 (5 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 GFPT1 470/4885HCAR2 189/4885KEAP1 558/4885
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 GFPT1 470/4885HCAR2 189/4885KEAP1 558/4885
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 GFPT1 470/4885HCAR2 189/4885KEAP1 558/4885
US-20140315786-A1 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES GAA, GUSB, ACER2 GFPT1 2735/4885HCAR2 326/4885KEAP1 790/4885
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 GFPT1 470/4885HCAR2 189/4885KEAP1 558/4885

“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.