SCHEMBL524469

SCHEMBL524469

C[CH]CCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KEAP1 Q14145 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 2/20 0.39
PAOX Q6QHF9 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.38
DUSP3 P51452 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
MAPK1 P28482 1/20 0.38
SCN1A P35498 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL15173760 0.86 KEAP1 (0.54) GLAALDH1A1SMN1; SMN2KEAP1KDM4E
SCHEMBL15173940 0.85 KEAP1 (0.52) ALDH1A1SMN1; SMN2KEAP1KDM4ECYP1A2
SCHEMBL15173887 0.83 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2KEAP1KDM4ECYP1A2
SCHEMBL20635073 0.81 GLA (0.40) GLAALDH1A1SMN1; SMN2KEAP1KDM4E
SCHEMBL646005 0.80 KDM4E (0.50) GLAALDH1A1SMN1; SMN2KEAP1KDM4E
SCHEMBL235080 0.79 KDM4E (0.65) GLAALDH1A1SMN1; SMN2KEAP1KDM4E
SCHEMBL27160143 0.77 ALDH1A1 (0.43) GLAALDH1A1SMN1; SMN2KEAP1KDM4E
SCHEMBL10379098 0.77
SCHEMBL21623672 0.76 KDM4E (0.46) GLAALDH1A1SMN1; SMN2KEAP1KDM4E
SCHEMBL5345779 0.76 KDM4E (0.46) GLAALDH1A1SMN1; SMN2KEAP1KDM4E

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 81 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
WO-2020015716-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-01-23 WO claimed
US-9302977-B2 Method of making monomethyl fumarate XENOPORT, INC. (US) 2016-04-05 US claimed
EP-2887934-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS XenoPort, Inc. (US) 2015-07-01 EP claimed
EP-2854795-A1 TREATMENT OF MULTIPLE SCLEROSIS AND PSORIASIS USING PRODRUGS OF METHYL HYDROGEN FUMARATE XenoPort, Inc. (US) 2015-04-08 EP claimed
US-20140364604-A1 METHOD OF MAKING MONOMETHYL FUMARATE HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2014-12-11 US claimed
WO-2014197860-A1 METHOD OF MAKING MONOMETHYL FUMARATE XENOPORT, INC. (US) 2014-12-11 WO 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
WO-2014031844-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS XENOPORT, INC. (US) 2014-02-27 WO claimed
US-20130324539-A1 Treatment of Multiple Sclerosis and Psoriasis Using Prodrugs of Methyl Hydrogen Fumarate WILSHIRE PHARMACEUTICALS, INC. 2013-12-05 US claimed
WO-2013181451-A1 TREATMENT OF MULTIPLE SCLEROSIS AND PSORIASIS USING PRODRUGS OF METHYL HYDROGEN FUMARATE XENOPORT, INC. (US) 2013-12-05 WO claimed
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2024-07-18 US disclosed
EP-4374877-A2 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION. CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-29 EP disclosed
US-20240166669-A1 QUINAZOLINE AMINE DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. 2024-05-23 US disclosed
EP-3928779-B1 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION. CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-03-06 EP disclosed
WO-2002081433-A1 SULPHONES WHICH MODULATE THE ACTION OF GAMMA SECRETASE MERCK SHARP & DOHME LIMITED (GB) 2002-10-17 WO disclosed
US-4104402-A BRONCHODILATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-08-01 US disclosed
US-4035512-A Aminotetralols TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-07-12 US disclosed
US-4010202-A TREATMENT OF ASTHMA AND ARRHYTHMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-01 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 (7 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 GLA 459/4885ALDH1A1 626/4885SMN1; SMN2 1509/4885
US-20140350018-A9 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA GLA 459/4885ALDH1A1 626/4885SMN1; SMN2 1509/4885
US-20240166669-A1 QUINAZOLINE AMINE DERIVATIVES AS KRAS INHIBITORS KRAS, NRAS, HRAS GLA 3936/4885ALDH1A1 3856/4885SMN1; SMN2 4249/4885
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 GLA 528/4885ALDH1A1 635/4885SMN1; SMN2 1538/4885
US-20140364604-A1 METHOD OF MAKING MONOMETHYL FUMARATE FH, HNMT, FPGS GLA 1439/4885ALDH1A1 1047/4885SMN1; SMN2 125/4885
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA GLA 459/4885ALDH1A1 626/4885SMN1; SMN2 1509/4885
US-20130324539-A1 Treatment of Multiple Sclerosis and Psoriasis Using Prodrugs of Methyl Hydrogen Fumarate MGMT, FH, SI GLA 2205/4885ALDH1A1 3064/4885SMN1; SMN2 1726/4885

“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.