SCHEMBL4036804

SCHEMBL4036804

COC(=O)C1C(C(=O)O)C(C(=O)O)C1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.56
PTPN1 P18031 1/20 0.56
PPP1CC P36873 1/20 0.56
POLB P06746 2/20 0.52
CYP2C19 P33261 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL8917467 1.00 PPM1B (0.56) PPM1BPTPN1PPP1CCPOLBCYP2C19
SCHEMBL257600 1.00 PPM1B (0.56) PPM1BPTPN1PPP1CCPOLBCYP2C19
SCHEMBL5490936 1.00 PPM1B (0.56) PPM1BPTPN1PPP1CCPOLBCYP2C19
SCHEMBL20075282 0.87 CYP2C19 (0.50) PPM1BPTPN1PPP1CCPOLBCYP2C19
SCHEMBL2081942 0.87 CYP2C19 (0.50) PPM1BPTPN1PPP1CCPOLBCYP2C19
SCHEMBL13139972 0.87 CYP2C19 (0.50) PPM1BPTPN1PPP1CCPOLBCYP2C19
SCHEMBL2080386 0.87 CYP2C19 (0.50) PPM1BPTPN1PPP1CCPOLBCYP2C19
SCHEMBL8919476 0.87 CYP2C19 (0.50) PPM1BPTPN1PPP1CCPOLBCYP2C19
SCHEMBL15319047 0.81 PPM1B (0.50) PPM1BPTPN1PPP1CCPOLBCYP2C19
SCHEMBL392329 0.79 PPM1B (0.59) PPM1BPTPN1PPP1CCPOLBCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250114457-A1 PHARMACEUTICAL COMPOSITIONS OF FUMARIC ACID ESTERS HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2025-04-10 US claimed
US-20220241420-A1 Pharmaceutical Compositions of Fumaric Acid Esters ARBOR PHARMACEUTICALS, LLC 2022-08-04 US claimed
US-9999672-B2 Pharmaceutical compositions of fumaric acid esters XENOPORT, INC. (US) 2018-06-19 US claimed
US-20150265707-A1 PHARMACEUTICAL COMPOSITIONS OF FUMARIC ACID ESTERS HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2015-09-24 US claimed
WO-2014160633-A1 PHARMACEUTICAL COMPOSITIONS OF DIMETHYL FUMARATE XENOPORT, INC. (US) 2014-10-02 WO claimed
EP-1592436-A4 COMPOUNDS THAT BIND P2Y sb 2 /sb OR P2Y sb 1 /sb RECEPTORS KIMBERLY CLARK CO (US) 2009-09-02 EP claimed
US-7056889-B2 Compounds that bind P2Y2 or P2Y1 receptors KIMBERLY-CLARK, WORLDWIDE, INC. (US) 2006-06-06 US claimed
EP-1592436-A2 COMPOUNDS THAT BIND P2Y sb 2 /sb OR P2Y sb 1 /sb RECEPTORS Kimberly-Clark Worldwide, Inc. (US) 2005-11-09 EP claimed
WO-2004060907-A2 COMPOUNDS THAT BIND P2Y2 OR P2Y1 RECEPTORS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-07-22 WO claimed
US-20040116339-A1 Compounds that bind P2Y2 or P2Y1 receptors KIMBERLY-CLARK WORLDWIDE, INC. 2004-06-17 US claimed
US-20250114457-A1 PHARMACEUTICAL COMPOSITIONS OF FUMARIC ACID ESTERS HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2025-04-10 US disclosed
US-20220241420-A1 Pharmaceutical Compositions of Fumaric Acid Esters ARBOR PHARMACEUTICALS, LLC 2022-08-04 US disclosed
US-11135296-B2 Pharmaceutical compositions of fumaric acid esters ARBOR PHARMACEUTICALS, LLC (US) 2021-10-05 US disclosed
US-20190117776-A1 Pharmaceutical Compositions of Fumaric Acid Esters HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2019-04-25 US disclosed
US-9999672-B2 Pharmaceutical compositions of fumaric acid esters XENOPORT, INC. (US) 2018-06-19 US disclosed
WO-2004060907-A2 COMPOUNDS THAT BIND P2Y2 OR P2Y1 RECEPTORS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-07-22 WO disclosed
US-20040116339-A1 Compounds that bind P2Y2 or P2Y1 receptors KIMBERLY-CLARK WORLDWIDE, INC. 2004-06-17 US disclosed
EP-0677039-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 1999-03-10 EP disclosed
EP-0677039-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1995-10-18 EP disclosed
WO-1995012572-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1995-05-11 WO 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-11135296-B2 Pharmaceutical compositions of fumaric acid esters FAH, FH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PPM1B 1070/4885PTPN1 1581/4885PPP1CC 2697/4885
US-20150265707-A1 PHARMACEUTICAL COMPOSITIONS OF FUMARIC ACID ESTERS FAH, FH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PPM1B 1070/4885PTPN1 1581/4885PPP1CC 2697/4885
US-20250114457-A1 PHARMACEUTICAL COMPOSITIONS OF FUMARIC ACID ESTERS FAH, FH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PPM1B 1070/4885PTPN1 1581/4885PPP1CC 2697/4885
US-20220241420-A1 Pharmaceutical Compositions of Fumaric Acid Esters FAH, FH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PPM1B 1070/4885PTPN1 1581/4885PPP1CC 2697/4885
US-20190117776-A1 Pharmaceutical Compositions of Fumaric Acid Esters FAH, FH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PPM1B 1070/4885PTPN1 1581/4885PPP1CC 2697/4885

“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.