SCHEMBL2189105

SCHEMBL2189105

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCCNCCNC(=O)C=CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.61
▸ EPHX2 P34913 2/20 0.52
▸ MAPT P10636 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SLC6A5 Q9Y345 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ FAAH O00519 2/20 0.50
▸ CNR2 P34972 2/20 0.50
▸ TRPM8 Q7Z2W7 1/20 0.50
▸ KCNK3 O14649 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ TRPV1 Q8NER1 1/20 0.50
▸ SREBF2 Q12772 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL18936853 1.00 CNR1 (0.61) CNR1EPHX2MAPTMEN1KMT2A
SCHEMBL18936851 0.96 CNR1 (0.66) CNR1EPHX2MAPTMEN1KMT2A
SCHEMBL2190833 0.96 CNR1 (0.66) CNR1EPHX2MAPTMEN1KMT2A
SCHEMBL18936854 0.92 CNR1 (0.59) CNR1EPHX2MAPTMEN1KMT2A
SCHEMBL2191225 0.92 CNR1 (0.59) CNR1EPHX2MAPTMEN1KMT2A
SCHEMBL2190944 0.88 CNR1 (0.69) CNR1EPHX2MAPTMEN1KMT2A
SCHEMBL2188464 0.88 CNR1 (0.64) CNR1EPHX2MAPTMEN1KMT2A
SCHEMBL2188466 0.88 CNR1 (0.64) CNR1EPHX2MAPTMEN1KMT2A
SCHEMBL12417778 0.88 CNR1 (0.64) CNR1EPHX2MAPTMEN1KMT2A
SCHEMBL2193488 0.88 CNR1 (0.59) CNR1EPHX2MAPTMEN1KMT2A

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 17 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 claimed
US-8969354-B2 Fatty acid fumarate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-03-03 — — US claimed
US-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-14 — — US claimed
EP-2521447-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES Catabasis Pharmaceuticals, Inc. (US) 2012-11-14 — — EP claimed
WO-2011085211-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-07-14 — — WO claimed
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-07-14 — — US claimed
US-20180271820-A1 METHODS OF TREATING HEART FAILURE RAJASEKHAR VIJAYKUMAR (US) 2018-09-27 — — US disclosed
US-20170258751-A1 METHODS OF TREATING HEART FAILURE USING FATTY ACID FUMARATE DERIVATIVES RAJASEKHAR VIJAYKUMAR (US) 2017-09-14 — — US disclosed
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 (6 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-20170258751-A1 METHODS OF TREATING HEART FAILURE USING FATTY ACID FUMARATE DERIVATIVES FH, FABP3, HMGCR CNR1 4358/4885EPHX2 611/4885MAPT 3076/4885
US-20180271820-A1 METHODS OF TREATING HEART FAILURE FABP3, FH, TNNI3 CNR1 3874/4885EPHX2 728/4885MAPT 4229/4885
US-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CNR1 3320/4885EPHX2 1767/4885MAPT 253/4885
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CNR1 3320/4885EPHX2 1767/4885MAPT 253/4885
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CNR1 3320/4885EPHX2 1767/4885MAPT 253/4885
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CNR1 3320/4885EPHX2 1767/4885MAPT 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.

Send feedback