SCHEMBL2609735

SCHEMBL2609735

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HCAR2 Q8TDS4 3/20 0.44
TP53 P04637 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
MAPT P10636 3/20 0.40
HSP90AA1 P07900 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL23365446 0.87 TDP1 (0.49) NPC1RAB9AHTTLMNASMN1; SMN2
SCHEMBL2609732 0.85 TSHR (0.50) TSHRNPC1RAB9AHTTLMNA
SCHEMBL16809098 0.79 TSHR (0.53) TSHRNPC1RAB9AHTTLMNA
SCHEMBL7603133 0.78 TSHR (0.52) TSHRNPC1RAB9AHTTLMNA
SCHEMBL12132614 0.77 NPC1 (0.48) TSHRNPC1RAB9AHTTLMNA
SCHEMBL1344693 0.75 TSHR (0.49) TSHRNPC1RAB9AHTTLMNA
SCHEMBL3432411 0.75 TSHR (0.49) TSHRNPC1RAB9AHTTLMNA
SCHEMBL16805840 0.74 PDCD1 (0.54) TSHRNPC1RAB9AHTTLMNA
SCHEMBL23241056 0.72 ADRB2 (0.38) TSHRNPC1RAB9AHTTLMNA
SCHEMBL5665678 0.72 TSHR (0.57) TSHRNPC1RAB9AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-11007166-B2 Methods of treating multiple sclerosis BIOGEN MA INC. (US) 2021-05-18 US disclosed
US-11007167-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-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-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-11590095-B2 Fumarate ester dosage forms FH, FAH, SDHB TSHR 4236/4885NPC1 917/4885RAB9A 3132/4885
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-11903918-B2 Fumarate ester dosage forms with enhanced gastrointestinal tolerability FH, SI, FAH TSHR 3709/4885NPC1 3301/4885RAB9A 1719/4885

“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.