SCHEMBL2609732

SCHEMBL2609732

COC(=O)/C=C/C(=O)OC(C)OC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HCAR2 Q8TDS4 3/20 0.46
TP53 P04637 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
MAPT P10636 3/20 0.41
HSP90AA1 P07900 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 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
SCHEMBL23241056 0.85 ADRB2 (0.38) TSHRNPC1RAB9ALMNAHTT
SCHEMBL2609735 0.85 TSHR (0.47) TSHRNPC1RAB9ALMNAHTT
SCHEMBL6660758 0.83 TSHR (0.63) TSHRNPC1RAB9ALMNAHTT
SCHEMBL434162 0.81 TSHR (0.49) TSHRNPC1RAB9ALMNAHTT
Acetic Acid SCHEMBL1273751 0.79 TSHR (0.59) TSHRNPC1RAB9ALMNAHTT
SCHEMBL2609734 0.79 HCAR2 (0.65) LMNAHTTSMN1; SMN2ALDH1A1HCAR2
SCHEMBL18421667 0.79 HCAR2 (0.65) LMNAHTTSMN1; SMN2ALDH1A1HCAR2
SCHEMBL4418738 0.78 TSHR (0.57) TSHRNPC1RAB9ALMNAHTT
SCHEMBL3960239 0.78 TSHR (0.57) TSHRNPC1RAB9ALMNAHTT
SCHEMBL12922990 0.76 TSHR (0.55) TSHRNPC1RAB9ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-11007167-B2 Methods of treating multiple sclerosis BIOGEN MA INC. (US) 2021-05-18 US disclosed
US-11007166-B2 Methods of treating multiple sclerosis BIOGEN MA INC. (US) 2021-05-18 US disclosed
EP-3804711-A1 METHODS OF TREATING MULTIPLE SCLEROSIS Biogen MA Inc. (US) 2021-04-14 EP disclosed
US-10959972-B2 Methods of treating multiple sclerosis BIOGEN MA INC. (US) 2021-03-30 US disclosed
US-20210023040-A1 METHODS OF TREATING MULTIPLE SCLEROSIS BIOGEN MA INC. 2021-01-28 US disclosed
US-20200345679-A1 METHODS OF TREATING MULTIPLE SCLEROSIS BIOGEN MA INC. 2020-11-05 US disclosed
US-8778991-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2014-07-15 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 (11 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 TSHR 3627/4885NPC1 559/4885RAB9A 4537/4885
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 TSHR 3968/4885NPC1 4208/4885RAB9A 3011/4885
US-20210023040-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML TSHR 3627/4885NPC1 559/4885RAB9A 4537/4885
US-11007167-B2 Methods of treating multiple sclerosis FAH, FH, PML TSHR 3627/4885NPC1 559/4885RAB9A 4537/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 TSHR 4060/4885NPC1 4131/4885RAB9A 3060/4885
US-11007166-B2 Methods of treating multiple sclerosis FAH, FH, PML TSHR 3627/4885NPC1 559/4885RAB9A 4537/4885
US-11246850-B2 Methods of treating multiple sclerosis FAH, FH, PML TSHR 3627/4885NPC1 559/4885RAB9A 4537/4885
US-20210315854-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML TSHR 3627/4885NPC1 559/4885RAB9A 4537/4885
US-10959972-B2 Methods of treating multiple sclerosis FAH, FH, PML TSHR 3627/4885NPC1 559/4885RAB9A 4537/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 TSHR 3968/4885NPC1 4208/4885RAB9A 3011/4885
US-20200345679-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML TSHR 3627/4885NPC1 559/4885RAB9A 4537/4885

“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.