SCHEMBL3483417

SCHEMBL3483417

C[C](C)OC(=O)OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
HCAR2 Q8TDS4 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CA12 O43570 5/20 0.32
CA1 P00915 5/20 0.32
CA2 P00918 5/20 0.32
CA9 Q16790 5/20 0.32
CA7 P43166 3/20 0.32
CA14 Q9ULX7 3/20 0.32
LMNA P02545 3/20 0.32
ADRA1A P35348 1/20 0.31
PDE4D Q08499 1/20 0.31
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30

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
SCHEMBL288698 0.85 TSHR (0.53) TSHRHCAR2ALDH1A1CA12CA1
SCHEMBL8437495 0.83 TSHR (0.60) TSHRHCAR2ALDH1A1CA12CA1
SCHEMBL3706557 0.81 TSHR (0.57) TSHRHCAR2ALDH1A1CA12CA1
SCHEMBL6471616 0.79 TSHR (0.48) TSHRHCAR2ALDH1A1CA12CA1
SCHEMBL36670 0.78 TSHR (0.59) TSHRHCAR2ALDH1A1CA12CA1
Propane SCHEMBL22462424 0.78 TSHR (0.46) TSHRHCAR2ALDH1A1CA12CA1
SCHEMBL5490374 0.78 TSHR (0.46) TSHRHCAR2ALDH1A1CA12CA1
SCHEMBL4785172 0.77 TSHR (0.46) TSHRHCAR2ALDH1A1LMNACHRM2
SCHEMBL4582656 0.77
SCHEMBL28340544 0.76 TSHR (0.43) TSHRHCAR2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects ARBOR PHARMACEUTICALS, LLC 2021-07-29 US claimed
US-20140350018-A9 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects XENOPORT, INC. (US) 2014-11-27 US claimed
US-20140057917-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects XENOPORT, INC. (US) 2014-02-27 US claimed
US-10945984-B2 Methods of administering monomethyl fumarate and prodrugs thereof having reduced side effects ARBOR PHARMACEUTICALS, LLC (US) 2021-03-16 US disclosed
EP-3027767-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS XenoPort, Inc. (US) 2016-06-08 EP disclosed
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
WO-2015017762-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS XENOPORT, INC. (US) 2015-02-05 WO disclosed
US-20140350018-A9 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects XENOPORT, INC. (US) 2014-11-27 US disclosed
US-20140057917-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects XENOPORT, INC. (US) 2014-02-27 US disclosed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 US disclosed
EP-0008917-B1 PENAM-3-CARBOXYLIC ACID 1,1-DIOXIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS PFIZER INC. (US) 1982-11-24 EP disclosed
US-4241050-A Penam 1,1-dioxides as beta-lactamase inhibitors PFIZER INC. (US) 1980-12-23 US disclosed
EP-0008917-A1 Penam-3-carboxylic acid 1,1-dioxides, process for their preparation and pharmaceutical compositions PFIZER INC. (US) 1980-03-19 EP 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 (6 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-20140057917-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA TSHR 4532/4885HCAR2 1463/4885ALDH1A1 626/4885
US-10945984-B2 Methods of administering monomethyl fumarate and prodrugs thereof having reduced side effects FH, FAH, ALDOA TSHR 4532/4885HCAR2 1463/4885ALDH1A1 626/4885
US-20140350018-A9 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA TSHR 4532/4885HCAR2 1463/4885ALDH1A1 626/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 TSHR 536/4885HCAR2 51/4885ALDH1A1 996/4885
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 TSHR 4029/4885HCAR2 74/4885ALDH1A1 409/4885
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA TSHR 4532/4885HCAR2 1463/4885ALDH1A1 626/4885

“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.