SCHEMBL2114333

SCHEMBL2114333

COC(=O)/C=C/C(=O)OCC(=O)NCCNC(=O)COC(=O)/C(C)=C/C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HCAR2 Q8TDS4 3/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.34
FAAH O00519 1/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.33
MDM4 O15151 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL2114335 1.00 MEN1 (0.49) MEN1KMT2AHCAR2MAPTALDH1A1
SCHEMBL2615390 0.83 HCAR2 (0.52) MEN1KMT2AHCAR2MAPTALDH1A1
SCHEMBL242105 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL2115863 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL2116143 0.80 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1FAAH
SCHEMBL2135252 0.80 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1FAAH
SCHEMBL244432 0.79 HCAR2 (0.47) MEN1KMT2AHCAR2MAPTALDH1A1
SCHEMBL2114928 0.79 HCAR2 (0.47) MEN1KMT2AHCAR2MAPTALDH1A1
SCHEMBL2113888 0.78 FAAH (0.54) MEN1KMT2AKDM4EHTTLMNA
SCHEMBL1965328 0.78 FAAH (0.54) MEN1KMT2AKDM4EHTTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 MEN1 992/4885KMT2A 318/4885HCAR2 68/4885

“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.