SCHEMBL2115969

SCHEMBL2115969

CCOC(=O)CN(Cc1ccccc1)C(=O)CCOC(=O)C(C)=CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.45
LMNA P02545 4/20 0.43
NPC1 O15118 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 7/20 0.41
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LTA4H P09960 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPM8 Q7Z2W7 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
SCHEMBL2115965 1.00 PIN1 (0.45) PIN1LMNANPC1HSD17B10TSHR
SCHEMBL17240945 0.96 PIN1 (0.43) PIN1LMNANPC1HSD17B10TSHR
SCHEMBL2115968 0.92 PIN1 (0.45) PIN1LMNANPC1HSD17B10TSHR
SCHEMBL2115836 0.89 PIN1 (0.47) PIN1LMNAHSD17B10TSHRALDH1A1
SCHEMBL2115841 0.89 PIN1 (0.47) PIN1LMNAHSD17B10TSHRALDH1A1
SCHEMBL17240946 0.88 MEN1 (0.47) PIN1LMNANPC1HSD17B10TSHR
SCHEMBL28918834 0.84 PIN1 (0.43) PIN1LMNANPC1HSD17B10TSHR
SCHEMBL1964039 0.82 HCAR2 (0.51) PIN1LMNANPC1HSD17B10TSHR
SCHEMBL1964036 0.82 HCAR2 (0.51) PIN1LMNANPC1HSD17B10TSHR
SCHEMBL2115838 0.81 MEN1 (0.53) PIN1LMNAHSD17B10ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260007627-A1 METHODS OF TREATING MULTIPLE SCLEROSIS BIOGEN MA INC (US) 2026-01-08 US 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-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
US-10994003-B2 Dimethyl fumarate and vaccination regimens BIOGEN MA INC. (US) 2021-05-04 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-20170354630-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC. 2017-12-14 US disclosed
US-20170000873-A1 Dimethyl Fumarate and Vaccination Regimens BIOGEN MA INC. 2017-01-05 US disclosed
WO-2016153957-A2 METHODS AND COMPOSITIONS FOR THE INTRAVENOUS ADMINISTRATION OF FUMARATES FOR THE TREATMENT OF NEUROLOGICAL DISEASES BIOGEN MA INC. (US) 2016-09-29 WO disclosed
US-20160115540-A1 PRODRUGS AND DRUGS BIOGEN MA INC. 2016-04-28 US disclosed
EP-2999482-A2 PRODRUGS AND DRUGS Biogen MA Inc. (US) 2016-03-30 EP disclosed
US-20150209318-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DIMETHYL FUMARATE BIOGEN MA INC. 2015-07-30 US disclosed
WO-2014190056-A2 PRODRUGS AND DRUGS BIOGEN IDEC MA INC. (US) 2014-11-27 WO disclosed
US-20130295169-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate BIOGEN MA INC. 2013-11-07 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 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-20170000873-A1 Dimethyl Fumarate and Vaccination Regimens FH, HLA-DRB1, SDHB PIN1 2070/4885LMNA 4083/4885NPC1 2876/4885
US-11129806-B2 Methods of treating multiple sclerosis FAH, FH, PML PIN1 1935/4885LMNA 3109/4885NPC1 559/4885
US-11007167-B2 Methods of treating multiple sclerosis FAH, FH, PML PIN1 1935/4885LMNA 3109/4885NPC1 559/4885
US-20160115540-A1 PRODRUGS AND DRUGS CYP2D6, PAICS, UGT2B7 PIN1 283/4885LMNA 2719/4885NPC1 716/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 PIN1 405/4885LMNA 4576/4885NPC1 4131/4885
US-20260007627-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FH, SLC6A6, SLC6A13 PIN1 962/4885LMNA 1608/4885NPC1 290/4885
US-20150209318-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DIMETHYL FUMARATE FH, FAH, MGMT PIN1 1693/4885LMNA 3411/4885NPC1 1456/4885
US-11007166-B2 Methods of treating multiple sclerosis FAH, FH, PML PIN1 1935/4885LMNA 3109/4885NPC1 559/4885
US-11246850-B2 Methods of treating multiple sclerosis FAH, FH, PML PIN1 1935/4885LMNA 3109/4885NPC1 559/4885
US-20210315854-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML PIN1 1935/4885LMNA 3109/4885NPC1 559/4885
US-10959972-B2 Methods of treating multiple sclerosis FAH, FH, PML PIN1 1935/4885LMNA 3109/4885NPC1 559/4885
US-10994003-B2 Dimethyl fumarate and vaccination regimens FH, HLA-DRB1, SDHB PIN1 2070/4885LMNA 4083/4885NPC1 2876/4885
US-20220072117-A1 Dimethyl Fumarate and Vaccination Regimens FH, HLA-DRB1, SDHB PIN1 2070/4885LMNA 4083/4885NPC1 2876/4885
US-20130295169-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate FH, FAH, MGMT PIN1 1693/4885LMNA 3411/4885NPC1 1456/4885
US-20170354630-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML PIN1 1935/4885LMNA 3109/4885NPC1 559/4885

“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.