SCHEMBL1965067

SCHEMBL1965067

COC(=O)/C=C/C(=O)OCC(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
POLB P06746 2/20 0.59
CYP2D6 P10635 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49
FAAH O00519 1/20 0.49
HTR7 P34969 1/20 0.48
ACHE P22303 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL2115878 0.90 LMNA (0.61) LMNAPOLBCYP2D6SMN1; SMN2ALDH1A1
SCHEMBL2115875 0.90 LMNA (0.61) LMNAPOLBCYP2D6SMN1; SMN2ALDH1A1
SCHEMBL1088276 0.82 CYP2D6 (0.78) LMNAPOLBCYP2D6SMN1; SMN2CYP3A4
SCHEMBL16218991 0.81 ALDH1A1 (0.66) LMNAPOLBSMN1; SMN2CYP2C9CYP2C19
SCHEMBL23241265 0.80 LMNA (0.41) LMNAPOLBCYP2D6SMN1; SMN2CYP3A4
SCHEMBL5857769 0.78 SIGMAR1 (0.50) LMNACYP2D6SMN1; SMN2CYP3A4CYP2C9
SCHEMBL5857768 0.78 SIGMAR1 (0.50) LMNACYP2D6SMN1; SMN2CYP3A4CYP2C9
SCHEMBL8192193 0.78 SMN1; SMN2 (0.60) LMNAPOLBCYP2D6SMN1; SMN2CYP3A4
SCHEMBL2134536 0.77 SMN1; SMN2 (0.51) LMNACYP2D6SMN1; SMN2CYP3A4CYP2C9
SCHEMBL2609709 0.76 GAA (0.43) POLBSMN1; SMN2ALDH1A1HTT

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-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-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-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-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
EP-2334378-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2011-06-22 EP 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 LMNA 3109/4885POLB 2218/4885CYP2D6 814/4885
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 LMNA 4568/4885POLB 1143/4885CYP2D6 86/4885
US-20190125710-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML LMNA 3109/4885POLB 2218/4885CYP2D6 814/4885
US-20210023040-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML LMNA 3109/4885POLB 2218/4885CYP2D6 814/4885
US-11007167-B2 Methods of treating multiple sclerosis FAH, FH, PML LMNA 3109/4885POLB 2218/4885CYP2D6 814/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 LMNA 4576/4885POLB 1066/4885CYP2D6 83/4885
US-11007166-B2 Methods of treating multiple sclerosis FAH, FH, PML LMNA 3109/4885POLB 2218/4885CYP2D6 814/4885
US-11246850-B2 Methods of treating multiple sclerosis FAH, FH, PML LMNA 3109/4885POLB 2218/4885CYP2D6 814/4885
US-20210315854-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML LMNA 3109/4885POLB 2218/4885CYP2D6 814/4885
US-20180000770-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML LMNA 3109/4885POLB 2218/4885CYP2D6 814/4885
US-10959972-B2 Methods of treating multiple sclerosis FAH, FH, PML LMNA 3109/4885POLB 2218/4885CYP2D6 814/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 LMNA 4568/4885POLB 1143/4885CYP2D6 86/4885
US-20200345679-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML LMNA 3109/4885POLB 2218/4885CYP2D6 814/4885

“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.