SCHEMBL196944

SCHEMBL196944

CCC(=O)N1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 2/20 0.44
KLK5 Q9Y337 1/20 0.43
POLB P06746 1/20 0.42
ROCK2 O75116 1/20 0.41
ACE P12821 1/20 0.41
LMNA P02545 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL14045138 1.00 FKBP1A (0.45) FKBP1ASMN1; SMN2HSD17B10KLK5POLB
SCHEMBL10723914 0.88 PARP1 (0.44) FKBP1ASMN1; SMN2HSD17B10ACELMNA
SCHEMBL16000757 0.86 DPP4 (0.46) FKBP1ASMN1; SMN2HSD17B10KLK5ROCK2
SCHEMBL2115151 0.86 HSD17B10 (0.43) FKBP1ASMN1; SMN2HSD17B10KLK5ROCK2
SCHEMBL6783598 0.86 HSD17B10 (0.43) FKBP1ASMN1; SMN2HSD17B10KLK5ROCK2
SCHEMBL7256995 0.86 HSD17B10 (0.43) FKBP1ASMN1; SMN2HSD17B10KLK5ROCK2
SCHEMBL196943 0.86 HSD17B10 (0.43) FKBP1ASMN1; SMN2HSD17B10KLK5ROCK2
SCHEMBL18065823 0.86 HSD17B10 (0.43) FKBP1ASMN1; SMN2HSD17B10KLK5ROCK2
SCHEMBL7256996 0.86 HSD17B10 (0.43) FKBP1ASMN1; SMN2HSD17B10KLK5ROCK2
SCHEMBL24749796 0.85 KLK5 (0.43) FKBP1ASMN1; SMN2HSD17B10KLK5POLB

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
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
JP-2012500285-A 2012-01-05 JP claimed
EP-2334378-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2011-06-22 EP claimed
WO-2010022177-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 WO claimed
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 US 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
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects ARBOR PHARMACEUTICALS, LLC 2021-07-29 US disclosed
US-10945984-B2 Methods of administering monomethyl fumarate and prodrugs thereof having reduced side effects ARBOR PHARMACEUTICALS, LLC (US) 2021-03-16 US disclosed
US-10463642-B2 Methods of treating heart failure diseases using prodrugs of methyl hydrogen fumarate RAJASEKHAR VIJAYKUMAR (US) 2019-11-05 US disclosed
US-20170216242-A1 METHODS OF TREATING HEART FAILURE DISEASES USING PRODRUGS OF METHYL HYDROGEN FUMARATE RAJASEKHAR VIJAYKUMAR (US) 2017-08-03 US disclosed
WO-2016182898-A1 METHODS OF USE FOR MONOMETHYL FUMARATE AND PRODRUGS THEREOF XENOPORT, INC. (US) 2016-11-17 WO disclosed
US-9452972-B2 Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof XENOPORT, INC. (US) 2016-09-27 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-8093231-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2012-01-10 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
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES TELIK, INC. 2008-02-14 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 US disclosed
EP-0038117-A1 Methods for preparing anti-hypertensive agents UNIVERSITY OF MIAMI (US) 1981-10-21 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 (9 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-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 FKBP1A 714/4885SMN1; SMN2 2353/4885HSD17B10 434/4885
US-10945984-B2 Methods of administering monomethyl fumarate and prodrugs thereof having reduced side effects FH, FAH, ALDOA FKBP1A 490/4885SMN1; SMN2 1509/4885HSD17B10 489/4885
US-10463642-B2 Methods of treating heart failure diseases using prodrugs of methyl hydrogen fumarate FH, HMGCR, HPGD FKBP1A 431/4885SMN1; SMN2 1550/4885HSD17B10 43/4885
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof FH, FAH, DHFR FKBP1A 623/4885SMN1; SMN2 2493/4885HSD17B10 669/4885
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES MTAP, TYMP, PHOSPHO1 FKBP1A 3466/4885SMN1; SMN2 1097/4885HSD17B10 4821/4885
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 FKBP1A 209/4885SMN1; SMN2 1538/4885HSD17B10 409/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 FKBP1A 714/4885SMN1; SMN2 2353/4885HSD17B10 434/4885
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA FKBP1A 490/4885SMN1; SMN2 1509/4885HSD17B10 489/4885
US-20170216242-A1 METHODS OF TREATING HEART FAILURE DISEASES USING PRODRUGS OF METHYL HYDROGEN FUMARATE FH, HMGCR, HPGD FKBP1A 431/4885SMN1; SMN2 1550/4885HSD17B10 43/4885

“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.