SCHEMBL293876

SCHEMBL293876

C[CH]C(=O)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 4/20 0.46
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP8 P22894 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL8333357 0.82 RAB9A (0.51) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL8333354 0.82 RAB9A (0.51) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL8971679 0.82
SCHEMBL27574038 0.81 SMN1; SMN2 (0.48) SMN1; SMN2CA12CA1CA9MEN1
Hydroxyl Radical SCHEMBL28161121 0.80 RAB9A (0.50) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL1896875 0.78 RAB9A (0.52) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL5414830 0.78 SMN1; SMN2 (0.50) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL9395643 0.77 SMN1; SMN2 (0.56) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL1258505 0.77 SMN1; SMN2 (0.50) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL13212895 0.77 LMNA (0.62) SMN1; SMN2CA12CA1CA9MEN1

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 258 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-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
US-20140350018-A9 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects XENOPORT, INC. (US) 2014-11-27 US claimed
US-8785443-B2 Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof XENOPORT, INC. (US) 2014-07-22 US claimed
EP-2440517-B1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2014-03-26 EP claimed
WO-2014031901-A1 METHODS OF USE FOR MONOMETHYL FUMARATE AND PRODRUGS THEREOF XENOPORT, INC. (US) 2014-02-27 WO claimed
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof XENOPORT, INC. (US) 2014-02-27 US claimed
WO-2009003911-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2009-01-08 WO claimed
US-20070225306-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2007-09-27 US claimed
CN-1918158-A Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2007-02-21 CN claimed
EP-1713806-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2006-10-25 EP claimed
WO-2005107760-A1 COMPOUNDS AND COMPOSITIONS AS INDUCERS OF KERATINOCYTE DIFFERENTIATION IRM LLC (BM) 2005-11-17 WO claimed
WO-2005080393-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-09-01 WO claimed
US-20040204367-A1 Pipecolic acid derivatives of proline threonine amides useful for the treatment of rheumatoid arthritis G.D. SEARLE & CO. (US) 2004-10-14 US claimed
US-6613880-B2 Autoimmune diseases; inflammatory conditions; competitive binding with Human Leukocyte Antigen displacing disease-inducing endogenous peptides PHARMACIA CORPORATION 2003-09-02 US claimed
US-20010027247-A1 Pipecolic acid derivatives of proline threonine amides useful for the treatment of rheumatoid arthritis G.D. SEARLE & CO., (US) 2001-10-04 US claimed
US-5652249-A ADMINISTERING PYROGLUTAMIDE DERIVATIVE NIPPON SHINYAKU CO., INC. (JP) 1997-07-29 US claimed

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-20010027247-A1 Pipecolic acid derivatives of proline threonine amides useful for the treatment of rheumatoid arthritis ARGLU1, PRR12, PTMS SMN1; SMN2 4441/4885CA12 1213/4885CA1 515/4885
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof FH, FAH, DHFR SMN1; SMN2 2493/4885CA12 259/4885CA1 517/4885
US-20070225306-A1 Compounds and Compositions as Protein Kinase Inhibitors ABL1, PDGFRA, PDGFRB SMN1; SMN2 3425/4885CA12 4589/4885CA1 4764/4885
US-20140350018-A9 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA SMN1; SMN2 1509/4885CA12 481/4885CA1 761/4885
US-20040204367-A1 Pipecolic acid derivatives of proline threonine amides useful for the treatment of rheumatoid arthritis ARGLU1, PRR12, PTMS SMN1; SMN2 4441/4885CA12 1213/4885CA1 515/4885
US-20140364604-A1 METHOD OF MAKING MONOMETHYL FUMARATE FH, HNMT, FPGS SMN1; SMN2 125/4885CA12 2251/4885CA1 594/4885
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA SMN1; SMN2 1509/4885CA12 481/4885CA1 761/4885

“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.