SCHEMBL3222641

SCHEMBL3222641

C/C(C(=O)O)=C(\C(=O)O)C(=O)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
EPHX1 P07099 1/20 0.49
PTPN1 P18031 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
RIPK1 Q13546 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL13130712 0.80 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTCYP2C9
SCHEMBL6590116 0.80 CYP2C9 (0.57) ALDH1A1MEN1KMT2AMAPTCYP2C9
SCHEMBL6590122 0.80 CYP2C9 (0.57) ALDH1A1MEN1KMT2AMAPTCYP2C9
SCHEMBL8525398 0.80 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTCYP2C9
SCHEMBL7563589 0.80 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTCYP2C9
SCHEMBL1867492 0.79 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTCYP2C9
SCHEMBL3056874 0.79 KMT2A (0.71) ALDH1A1MEN1KMT2AMAPTCYP2C9
SCHEMBL20438786 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTCYP2C9
Methacrylic Acid SCHEMBL28898117 0.77 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTCYP2C9
SCHEMBL183463 0.77 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180185319-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DIMETHYL FUMARATE BIOGEN MA INC. 2018-07-05 US disclosed
US-9452972-B2 Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof XENOPORT, INC. (US) 2016-09-27 US disclosed
US-20150197486-A9 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2015-07-16 US disclosed
US-20140329818-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF XENOPORT INC (US) 2014-11-06 US disclosed
US-8785443-B2 Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof XENOPORT, INC. (US) 2014-07-22 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
EP-2650279-A2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XenoPort, Inc. (US) 2013-10-16 EP 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-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 (5 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-20180185319-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DIMETHYL FUMARATE FH, FAH, MGMT ALDH1A1 2678/4885MEN1 414/4885KMT2A 297/4885
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 ALDH1A1 2050/4885MEN1 887/4885KMT2A 242/4885
US-20150197486-A9 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 ALDH1A1 1970/4885MEN1 992/4885KMT2A 318/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 ALDH1A1 2050/4885MEN1 887/4885KMT2A 242/4885
US-20140329818-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 ALDH1A1 1970/4885MEN1 992/4885KMT2A 318/4885

“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.