SCHEMBL2113136

SCHEMBL2113136

CCN(CC)C(=O)COC(=O)C(C)=CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HCAR2 Q8TDS4 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
THRB P10828 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
SCHEMBL241736 1.00 NPC1 (0.36) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL241737 0.86 MEN1 (0.43) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL2116092 0.83 ALDH1A1 (0.36) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL244487 0.83 ALDH1A1 (0.36) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL2137284 0.82 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL1970697 0.82 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL18279539 0.80 NPC1 (0.35) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL598483 0.79 NPSR1 (0.48) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL554289 0.79 NPSR1 (0.48) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7772643 0.79 NPSR1 (0.48) LMNAMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11026927-B2 Pharmaceutical combination comprising a selective S1P1 receptor agonist ACTELION PHARMACEUTICALS LTD (CH) 2021-06-08 US claimed
US-20210145755-A1 ORAL DOSAGE FORMS OF METHYL HYDROGEN FUMARATE AND PRODRUGS THEREOF ARBOR PHARMACEUTICALS, LLC 2021-05-20 US claimed
US-10940117-B2 Oral dosage forms of methyl hydrogen fumarate and prodrugs thereof ARBOR PHARMACEUTICALS, LLC (US) 2021-03-09 US claimed
US-20200246271-A1 ORAL DOSAGE FORMS OF METHYL HYDROGEN FUMARATE AND PRODRUGS THEREOF HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2020-08-06 US claimed
US-10716760-B2 Oral dosage forms of methyl hydrogen fumarate and prodrugs thereof ARBOR PHARMACEUTICALS, LLC (US) 2020-07-21 US claimed
EP-2887935-A1 ORAL DOSAGE FORMS OF METHYL HYDROGEN FUMARATE AND PRODRUGS THEREOF XenoPort, Inc. (US) 2015-07-01 EP claimed
WO-2014031894-A1 ORAL DOSAGE FORMS OF METHYL HYDROGEN FUMARATE AND PRODRUGS THEREOF XENOPORT, INC. (US) 2014-02-27 WO claimed
WO-2014031897-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF (N,N- DIETHYLCARBAMOYL)METHYL METHYL|(2E)BUT-2-ENE-1,4-DIOATE XENOPORT, INC. (US) 2014-02-27 WO claimed
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof XENOPORT, INC. (US) 2014-02-27 US claimed
US-8148414-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2012-04-03 US claimed
US-20260007627-A1 METHODS OF TREATING MULTIPLE SCLEROSIS BIOGEN MA INC (US) 2026-01-08 US disclosed
EP-4215191-A1 COMPOSITION COMPRISING A FUMARATE FOR USE IN A METHOD OF TREATING MULTIPLE SCLEROSIS Biogen MA Inc. (US) 2023-07-26 EP disclosed
US-20220072117-A1 Dimethyl Fumarate and Vaccination Regimens BIOGEN MA INC. (US) 2022-03-10 US disclosed
US-11246850-B2 Methods of treating multiple sclerosis BIOGEN MA INC. (US) 2022-02-15 US disclosed
US-20210315854-A1 METHODS OF TREATING MULTIPLE SCLEROSIS BIOGEN MA INC. 2021-10-14 US disclosed
US-20130295169-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate BIOGEN MA INC. 2013-11-07 US disclosed
US-20130216615-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate BIOGEN IDEC MA INC. 2013-08-22 US disclosed
WO-2013119677-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DIMETHYL FUMARATE BIOGEN IDEC MA INC. (US) 2013-08-15 WO disclosed
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF XENOPORT, INC. (US) 2012-04-19 US disclosed
US-8148414-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2012-04-03 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 (12 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-20200246271-A1 ORAL DOSAGE FORMS OF METHYL HYDROGEN FUMARATE AND PRODRUGS THEREOF FH, MGMT, BHMT2 NPC1 3828/4885RAB9A 2454/4885LMNA 4876/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 NPC1 4131/4885RAB9A 3060/4885LMNA 4576/4885
US-20210145755-A1 ORAL DOSAGE FORMS OF METHYL HYDROGEN FUMARATE AND PRODRUGS THEREOF FH, MGMT, BHMT2 NPC1 3828/4885RAB9A 2454/4885LMNA 4876/4885
US-20260007627-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FH, SLC6A6, SLC6A13 NPC1 290/4885RAB9A 3405/4885LMNA 1608/4885
US-11246850-B2 Methods of treating multiple sclerosis FAH, FH, PML NPC1 559/4885RAB9A 4537/4885LMNA 3109/4885
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof FH, FAH, DHFR NPC1 3263/4885RAB9A 4591/4885LMNA 2518/4885
US-20210315854-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML NPC1 559/4885RAB9A 4537/4885LMNA 3109/4885
US-20130216615-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate FH, FAH, MGMT NPC1 1456/4885RAB9A 3279/4885LMNA 3411/4885
US-20220072117-A1 Dimethyl Fumarate and Vaccination Regimens FH, HLA-DRB1, SDHB NPC1 2876/4885RAB9A 2823/4885LMNA 4083/4885
US-20130295169-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate FH, FAH, MGMT NPC1 1456/4885RAB9A 3279/4885LMNA 3411/4885
US-10940117-B2 Oral dosage forms of methyl hydrogen fumarate and prodrugs thereof FH, MGMT, BHMT2 NPC1 3828/4885RAB9A 2454/4885LMNA 4876/4885
US-10716760-B2 Oral dosage forms of methyl hydrogen fumarate and prodrugs thereof FH, MGMT, BHMT2 NPC1 3828/4885RAB9A 2454/4885LMNA 4876/4885

“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.