SCHEMBL2190528

SCHEMBL2190528

COC(=O)/C=C/C(=O)NC(CCCCNC(=O)CCCC[C@@H]1CCSS1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.51
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
ACHE P22303 9/20 0.46
BCHE P06276 9/20 0.46
PTPRF P10586 4/20 0.43
PTPN2 P17706 4/20 0.43
PTPN1 P18031 4/20 0.43
HSD17B10 Q99714 2/20 0.41
KMT2A Q03164 2/20 0.41
TARDBP Q13148 2/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL2190532 1.00 CAPN1 (0.51) CAPN1CA12CA9ACHEBCHE
SCHEMBL2190540 1.00 CAPN1 (0.51) CAPN1CA12CA9ACHEBCHE
SCHEMBL2191049 0.93 CAPN1 (0.47) CAPN1CA12CA9ACHEBCHE
SCHEMBL2191053 0.93 CAPN1 (0.47) CAPN1CA12CA9ACHEBCHE
SCHEMBL2191042 0.93 CAPN1 (0.47) CAPN1CA12CA9ACHEBCHE
SCHEMBL2195030 0.83 CA12 (0.55) CAPN1CA12CA9ACHEBCHE
SCHEMBL2195027 0.83 CA12 (0.55) CAPN1CA12CA9ACHEBCHE
SCHEMBL2195033 0.83 CA12 (0.55) CAPN1CA12CA9ACHEBCHE
SCHEMBL2190737 0.81 CA12 (0.52) CAPN1CA12CA9ACHEBCHE
SCHEMBL2190732 0.81 CA12 (0.52) CAPN1CA12CA9ACHEBCHE

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 CAPN1 1670/4885CA12 1911/4885CA9 1354/4885
US-20180271820-A1 METHODS OF TREATING HEART FAILURE FABP3, FH, TNNI3 CAPN1 3507/4885CA12 1902/4885CA9 1612/4885
US-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CAPN1 1266/4885CA12 2992/4885CA9 2497/4885
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CAPN1 1266/4885CA12 2992/4885CA9 2497/4885
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CAPN1 1266/4885CA12 2992/4885CA9 2497/4885
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CAPN1 1266/4885CA12 2992/4885CA9 2497/4885

“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.