SCHEMBL555676

SCHEMBL555676

CCCC(=CC(=O)O)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
FFAR3 O14843 2/20 0.37
ALDH1A1 P00352 3/20 0.34
EGLN1 Q9GZT9 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
CTSD P07339 1/20 0.32
ATM Q13315 1/20 0.31
POLB P06746 1/20 0.31
POLA1 P09884 1/20 0.31
ACHE P22303 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL555291 0.88 APEX1 (0.39) TSHRKDM4EALDH1A1CES2CES1
SCHEMBL554182 0.86 AKR1B1 (0.43) TSHRALDH1A1CES2CES1POLB
SCHEMBL6877098 0.83 HCAR2 (0.37) TSHRHDAC3HDAC1HDAC2HDAC8
SCHEMBL7772525 0.83 HCAR2 (0.37) TSHRHDAC3HDAC1HDAC2HDAC8
SCHEMBL7771247 0.83 KDM4E (0.43) TSHRKDM4EFFAR3ALDH1A1EGLN1
SCHEMBL555080 0.83 KDM4E (0.43) TSHRKDM4EFFAR3ALDH1A1EGLN1
SCHEMBL7767062 0.83 KDM4E (0.43) TSHRKDM4EFFAR3ALDH1A1EGLN1
SCHEMBL6029952 0.81 ALDH1A1 (0.48) TSHRKDM4EALDH1A1
SCHEMBL6029955 0.81 ALDH1A1 (0.48) TSHRKDM4EALDH1A1
SCHEMBL9410921 0.80 ALDH1A1 (0.39) TSHRHDAC3HDAC1HDAC2HDAC8

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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220105064-A1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS COMPRISING A FUMARIC ACID ESTER BIOGEN SWISS MFG GMBH (CH) 2022-04-07 US claimed
US-20220079884-A1 PHARMACEUTICAL FORMULATION COMPRISING ONE OR MORE FUMARIC ACID ESTERS IN AN EROSION MATRIX BIOGEN SWISS MFG GMBH (CH) 2022-03-17 US claimed
US-11229619-B2 Controlled release pharmaceutical compositions comprising a fumaric acid ester BIOGEN SWISS MANUFACTURING GMBH (CH) 2022-01-25 US claimed
US-20180221284-A1 PHARMACEUTICAL FORMULATION COMPRISING ONE OR MORE FUMARIC ACID ESTERS IN AN EROSION MATRIX BIOGEN SWISS MANUFACTURING GMBH (CH) 2018-08-09 US claimed
US-20150272894-A1 PHARMACEUTICAL FORMULATION COMPRISING ONE OR MORE FUMARIC ACID ESTERS IN AN EROSION MATRIX BIOGEN SWISS MANUFACTURING GMBH (CH) 2015-10-01 US claimed
US-20130259906-A1 PHARMACEUTICAL COMPOSITION COMPRISING ONE OR MORE FUMARIC ACID ESTERS FORWARD PHARMA A/S (DK) 2013-10-03 US claimed
US-20120034303-A1 PHARMACEUTICAL FORMULATION COMPRISING ONE OR MORE FUMARIC ACID ESTERS IN AN EROSION MATRIX FORWARD PHARMA A/S (DK) 2012-02-09 US claimed
US-20120034274-A1 PHARMACEUTICAL COMPOSITION COMPRISING ONE OR MORE FUMARIC ACID ESTERS FORWARD PHARMA A/S (DK) 2012-02-09 US claimed
EP-2379063-A1 PHARMACEUTICAL FORMULATION COMPRISING ONE OR MORE FUMARIC ACID ESTERS IN AN EROSION MATRIX Forward Pharma A/S (DK) 2011-10-26 EP claimed
EP-2379062-A1 PHARMACEUTICAL COMPOSITION COMPRISING ONE OR MORE FUMARIC ACID ESTERS Forward Pharma A/S (DK) 2011-10-26 EP claimed
WO-2010079222-A1 PHARMACEUTICAL FORMULATION COMPRISING ONE OR MORE FUMARIC ACID ESTERS IN AN EROSION MATRIX FORWARD PHARMA A/S (DK) 2010-07-15 WO claimed
WO-2010079221-A1 PHARMACEUTICAL COMPOSITION COMPRISING ONE OR MORE FUMARIC ACID ESTERS FORWARD PHARMA A/S (DK) 2010-07-15 WO claimed
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2024-07-18 US disclosed
US-20220105064-A1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS COMPRISING A FUMARIC ACID ESTER BIOGEN SWISS MFG GMBH (CH) 2022-04-07 US disclosed
US-20220079884-A1 PHARMACEUTICAL FORMULATION COMPRISING ONE OR MORE FUMARIC ACID ESTERS IN AN EROSION MATRIX BIOGEN SWISS MFG GMBH (CH) 2022-03-17 US disclosed
US-11229619-B2 Controlled release pharmaceutical compositions comprising a fumaric acid ester BIOGEN SWISS MANUFACTURING GMBH (CH) 2022-01-25 US disclosed
WO-2007006307-A2 NOVEL SALTS OF FUMARIC ACID MONOALKYLESTERS AND THEIR PHARMACEUTICAL USE ADITECH PHARMA AB (SE) 2007-01-18 WO disclosed
WO-2007006308-A1 NOVEL GLUCOPYRANOSE ESTERS AND GLUCOFURANOSE ESTERS OF ALKYL- FU MARATES AND THEIR PHARMACEUTICAL USE ADITECH PHARMA AB (SE) 2007-01-18 WO disclosed
WO-2006050730-A1 NOVEL SALTS OF FUMARIC ACID MONOALKYLESTERS AND THEIR PHARMACEUTICAL USE ADITECH PHARMA AB (SE) 2006-05-18 WO disclosed
WO-2006037342-A2 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS COMPRISING A FUMARIC ACID ESTER ADITECH PHARMA AB (SE) 2006-04-13 WO 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 (1 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-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 TSHR 4809/4885KDM4E 2062/4885HDAC3 1734/4885

“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.