SCHEMBL2195033

SCHEMBL2195033

COC(=O)C=CC(=O)NCCNC(=O)CCCC[C@@H]1CCSS1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
BCHE P06276 9/20 0.49
ACHE P22303 7/20 0.49
HSD17B10 Q99714 2/20 0.48
KMT2A Q03164 2/20 0.48
TARDBP Q13148 2/20 0.48
CYP2C9 P11712 1/20 0.48
MEN1 O00255 1/20 0.48
NR1I2 O75469 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 1/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL2195027 1.00 CA12 (0.55) CA12CA9BCHEACHEHSD17B10
SCHEMBL2195030 1.00 CA12 (0.55) CA12CA9BCHEACHEHSD17B10
SCHEMBL2190732 0.97 CA12 (0.52) CA12CA9BCHEACHEHSD17B10
SCHEMBL2190737 0.97 CA12 (0.52) CA12CA9BCHEACHEHSD17B10
SCHEMBL2190726 0.97 CA12 (0.52) CA12CA9BCHEACHEHSD17B10
SCHEMBL2191870 0.92 CA12 (0.49) CA12CA9BCHEACHEHSD17B10
SCHEMBL2191878 0.92 CA12 (0.49) CA12CA9BCHEACHEHSD17B10
SCHEMBL2191873 0.92 CA12 (0.49) CA12CA9BCHEACHEHSD17B10
SCHEMBL12417847 0.88 CA12 (0.57) CA12CA9BCHEACHEHSD17B10
SCHEMBL16799047 0.84 CA12 (0.60) CA12CA9BCHEACHEHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA12 1911/4885CA9 1354/4885BCHE 2864/4885
US-20180271820-A1 METHODS OF TREATING HEART FAILURE FABP3, FH, TNNI3 CA12 1902/4885CA9 1612/4885BCHE 2691/4885
US-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CA12 2992/4885CA9 2497/4885BCHE 2126/4885
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CA12 2992/4885CA9 2497/4885BCHE 2126/4885
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CA12 2992/4885CA9 2497/4885BCHE 2126/4885
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CA12 2992/4885CA9 2497/4885BCHE 2126/4885

“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.