SCHEMBL678077

SCHEMBL678077

COc1ccc(-c2cc(CCCC(=O)N(C)O)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.56
OPRD1 P41143 1/20 0.50
EP300 Q09472 2/20 0.44
PTGS2 P35354 1/20 0.41
MAPK14 Q16539 1/20 0.40
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM6 O15303 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
PKM P14618 1/20 0.38
PTPN1 P18031 1/20 0.37
BACE1 P56817 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL14195275 0.94 ALOX5 (0.51) ALOX5OPRD1EP300PTGS2MAPK14
SCHEMBL7756777 0.93 OPRD1 (0.52) ALOX5OPRD1EP300PTGS2RAB9A
SCHEMBL7761536 0.88 OPRD1 (0.48) ALOX5OPRD1EP300PTGS2RAB9A
SCHEMBL17833490 0.88 MAPK14 (0.42) ALOX5OPRD1EP300PTGS2MAPK14
SCHEMBL7756786 0.87 OPRD1 (0.47) ALOX5OPRD1EP300PTGS2MAPK14
SCHEMBL5599629 0.83 OPRD1 (0.53) OPRD1EP300MAPK14RAB9AKDM4E
SCHEMBL7760704 0.82 OPRD1 (0.49) ALOX5OPRD1EP300RAB9AKDM4E
SCHEMBL7760695 0.81 OPRD1 (0.56) OPRD1EP300PTGS2KDM4EALDH1A1
SCHEMBL7902764 0.80 OPRD1 (0.54) OPRD1EP300PTGS2MAPK14KDM4E
SCHEMBL7899189 0.80 OPRD1 (0.51) OPRD1EP300MAPK14RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728755-B1 Thiophene compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-04-11 EP claimed
US-RE37078-E1 Thiophene compounds ADIR ET COMPAGNIE (FR) 2001-02-27 US claimed
EP-0728755-A1 Thiophene compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-08-28 EP claimed
US-20220105064-A1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS COMPRISING A FUMARIC ACID ESTER BIOGEN SWISS MFG GMBH (CH) 2022-04-07 US disclosed
US-11229619-B2 Controlled release pharmaceutical compositions comprising a fumaric acid ester BIOGEN SWISS MANUFACTURING GMBH (CH) 2022-01-25 US disclosed
US-20210220318-A1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS COMPRISING A FUMARIC ACID ESTER FWP IP APS (DK) 2021-07-22 US disclosed
US-11052062-B2 Controlled release pharmaceutical compositions comprising a fumaric acid ester BIOGEN SWISS MANUFACTURING GMBH (CH) 2021-07-06 US disclosed
US-20190343787-A1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS COMPRISING A FUMARIC ACID ESTER FORWARD PHARMA A/S (DK) 2019-11-14 US disclosed
US-20190201368-A1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS COMPRISING A FUMARIC ACID ESTER BIOGEN SWISS MANUFACTURING GMBH (CH) 2019-07-04 US disclosed
US-20190117613-A1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS COMPRISING A FUMARIC ACID ESTER BIOGEN SWISS MANUFACTURING GMBH (CH) 2019-04-25 US disclosed
EP-3470064-A1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS COMPRISING A FUMARIC ACID ESTER FWP IP APS (DK) 2019-04-17 EP disclosed
EP-1951206-A1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS COMPRISING A FUMARIC ACID ESTER Aditech Pharma AB (SE) 2008-08-06 EP disclosed
EP-1915387-A1 NOVEL GLUCOPYRANOSE ESTERS AND GLUCOFURANOSE ESTERS OF ALKYL- FUMARATES AND THEIR PHARMACEUTICAL USE Aditech Pharma AB (SE) 2008-04-30 EP disclosed
EP-1915334-A2 NOVEL SALTS OF FUMARIC ACID MONOALKYLESTERS AND THEIR PHARMACEUTICAL USE Aditech Pharma AB (SE) 2008-04-30 EP disclosed
US-20080004344-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use ADITECH PHARMA AB (SE) 2008-01-03 US disclosed
EP-1812374-A1 NOVEL SALTS OF FUMARIC ACID MONOALKYLESTERS AND THEIR PHARMACEUTICAL USE Aditech Pharma AB (SE) 2007-08-01 EP disclosed
WO-2007042034-A1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS COMPRISING A FUMARIC ACID ESTER ADITECH PHARMA AB (SE) 2007-04-19 WO 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

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-20080004344-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use FAH, FH, SLC16A7 ALOX5 387/4885OPRD1 4876/4885EP300 1162/4885

“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.