SCHEMBL2609720

SCHEMBL2609720

CCOC(=O)CN(Cc1ccccc1)C(=O)COC(=O)/C=C/C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
ALDH1A1 P00352 6/20 0.47
PIN1 Q13526 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
MDM4 O15151 1/20 0.44
LMNA P02545 1/20 0.44
MDM2 Q00987 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPID Q08752 1/20 0.40

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
SCHEMBL2115563 0.92 ALDH1A1 (0.50) MAPTALDH1A1PIN1TRPM8MDM4
SCHEMBL2115566 0.92 ALDH1A1 (0.50) MAPTALDH1A1PIN1TRPM8MDM4
SCHEMBL28619903 0.82 ALDH1A1 (0.46) MAPTALDH1A1PIN1TRPM8LMNA
SCHEMBL28629284 0.82 PIN1 (0.42) MAPTALDH1A1PIN1LMNAMEN1
SCHEMBL2609721 0.82 PIN1 (0.42) MAPTALDH1A1PIN1LMNAMEN1
SCHEMBL3213534 0.82 ALDH1A1 (0.55) ALDH1A1PIN1TRPM8LMNAPOLB
SCHEMBL2115838 0.81 MEN1 (0.53) MAPTALDH1A1PIN1TRPM8LMNA
SCHEMBL9686760 0.81 PIN1 (0.53) ALDH1A1PIN1TRPM8LMNAPOLB
SCHEMBL1964036 0.80 HCAR2 (0.51) MAPTALDH1A1PIN1LMNAMEN1
SCHEMBL1964039 0.80 HCAR2 (0.51) MAPTALDH1A1PIN1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20190125710-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC. (US) 2019-05-02 US disclosed
US-20180000770-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC (US) 2018-01-04 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 (13 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 MAPT 28/4885ALDH1A1 3424/4885PIN1 1935/4885
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 MAPT 1222/4885ALDH1A1 2050/4885PIN1 456/4885
US-20190125710-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML MAPT 28/4885ALDH1A1 3424/4885PIN1 1935/4885
US-20210023040-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML MAPT 28/4885ALDH1A1 3424/4885PIN1 1935/4885
US-11007167-B2 Methods of treating multiple sclerosis FAH, FH, PML MAPT 28/4885ALDH1A1 3424/4885PIN1 1935/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 MAPT 1398/4885ALDH1A1 1970/4885PIN1 405/4885
US-11007166-B2 Methods of treating multiple sclerosis FAH, FH, PML MAPT 28/4885ALDH1A1 3424/4885PIN1 1935/4885
US-11246850-B2 Methods of treating multiple sclerosis FAH, FH, PML MAPT 28/4885ALDH1A1 3424/4885PIN1 1935/4885
US-20210315854-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML MAPT 28/4885ALDH1A1 3424/4885PIN1 1935/4885
US-20180000770-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML MAPT 28/4885ALDH1A1 3424/4885PIN1 1935/4885
US-10959972-B2 Methods of treating multiple sclerosis FAH, FH, PML MAPT 28/4885ALDH1A1 3424/4885PIN1 1935/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 MAPT 1222/4885ALDH1A1 2050/4885PIN1 456/4885
US-20200345679-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML MAPT 28/4885ALDH1A1 3424/4885PIN1 1935/4885

“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.