SCHEMBL2609692

SCHEMBL2609692

COC(=O)/C=C/C(=O)OCC(=O)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
RAB9A P51151 3/20 0.49
GLA P06280 3/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
POLB P06746 3/20 0.48
FKBP1A P62942 2/20 0.48
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL18288692 0.92 L3MBTL1 (0.63) L3MBTL1RAB9AGLAALDH1A1KDM4E
SCHEMBL19710848 0.91 L3MBTL1 (0.44) L3MBTL1RAB9AGLAALDH1A1KDM4E
SCHEMBL18288634 0.86 L3MBTL1 (0.56) L3MBTL1RAB9AALDH1A1KDM4EGAA
SCHEMBL2115854 0.86 L3MBTL1 (0.56) L3MBTL1RAB9AGLAALDH1A1KDM4E
SCHEMBL2115851 0.86 L3MBTL1 (0.56) L3MBTL1RAB9AGLAALDH1A1KDM4E
SCHEMBL17070332 0.85 L3MBTL1 (0.52) L3MBTL1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL18351947 0.85 TSHR (0.41) L3MBTL1GLAALDH1A1KDM4EGAA
SCHEMBL18352130 0.85 TSHR (0.41) L3MBTL1GLAALDH1A1KDM4EGAA
SCHEMBL15490808 0.84 L3MBTL1 (0.52) L3MBTL1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2609709 0.83 GAA (0.43) L3MBTL1ALDH1A1GAAPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-11903918-B2 Fumarate ester dosage forms with enhanced gastrointestinal tolerability BANNER LIFE SCIENCES LLC (US) 2024-02-20 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-11590095-B2 Fumarate ester dosage forms BANNER LIFE SCIENCES LLC (US) 2023-02-28 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-11129806-B2 Methods of treating multiple sclerosis BIOGEN MA INC. (US) 2021-09-28 US disclosed
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects ARBOR PHARMACEUTICALS, LLC 2021-07-29 US disclosed
US-20210179573-A1 Treatment of Multiple Sclerosis and Psoriasis Using Prodrugs of Methyl Hydrogen Fumarate ARBOR PHARMACEUTICALS, LLC 2021-06-17 US disclosed
US-20130203753-A1 MORPHOLINOALKYL FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2013-08-08 US disclosed
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2012-06-21 US disclosed
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2012-06-21 US 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-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
US-8148414-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2012-04-03 US disclosed
WO-2010022177-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 WO disclosed
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 US disclosed
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 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-11129806-B2 Methods of treating multiple sclerosis FAH, FH, PML L3MBTL1 1836/4885RAB9A 4537/4885GLA 1721/4885
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 L3MBTL1 2968/4885RAB9A 3011/4885GLA 2407/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 L3MBTL1 3271/4885RAB9A 3060/4885GLA 2322/4885
US-20130203753-A1 MORPHOLINOALKYL FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE FH, APC, HTT L3MBTL1 1726/4885RAB9A 3322/4885GLA 3983/4885
US-11590095-B2 Fumarate ester dosage forms FH, FAH, SDHB L3MBTL1 2973/4885RAB9A 3132/4885GLA 1464/4885
US-20210179573-A1 Treatment of Multiple Sclerosis and Psoriasis Using Prodrugs of Methyl Hydrogen Fumarate MGMT, FH, SI L3MBTL1 2971/4885RAB9A 2983/4885GLA 2205/4885
US-11246850-B2 Methods of treating multiple sclerosis FAH, FH, PML L3MBTL1 1836/4885RAB9A 4537/4885GLA 1721/4885
US-20210315854-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML L3MBTL1 1836/4885RAB9A 4537/4885GLA 1721/4885
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 L3MBTL1 136/4885RAB9A 3997/4885GLA 528/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 L3MBTL1 2968/4885RAB9A 3011/4885GLA 2407/4885
US-11903918-B2 Fumarate ester dosage forms with enhanced gastrointestinal tolerability FH, SI, FAH L3MBTL1 3890/4885RAB9A 1719/4885GLA 2052/4885
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA L3MBTL1 1236/4885RAB9A 4027/4885GLA 459/4885

“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.