SCHEMBL4997539

SCHEMBL4997539

COC(=O)CC(C)(C)C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
HSD17B10 Q99714 3/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TET2 Q6N021 1/20 0.37
RECQL P46063 2/20 0.35
LMNA P02545 4/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA2 P00918 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL8005851 0.83 TSHR (0.36) TSHRHSD17B10MGAMGAASI
SCHEMBL667630 0.79 TSHR (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL28698226 0.79 HDAC3 (0.35) CA12CA14CA2
SCHEMBL502135 0.79 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL11319403 0.77 GAA (0.46) HSD17B10MGAMGAASIMGAM2
SCHEMBL4997257 0.77 MGAM (0.41) TSHRHSD17B10MGAMGAASI
SCHEMBL11096662 0.77 TSHR (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL10957394 0.76 TSHR (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL10880317 0.76 TSHR (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL8391854 0.74 TSHR (0.40) TSHRHSD17B10MGAMGAASI

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113968786-B Process for preparing two methyl substituted 2-oxo-3-cyclopentene-1-carboxylate compounds and dicarboxylic acid ester compounds for preparing same 信越化学工业株式会社 2025-03-28 CN disclosed
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed
US-20060229280-A1 Endothelin antagonists ABBVIE INC. 2006-10-12 US disclosed
EP-0885215-B1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LAB (US) 2006-04-19 EP disclosed
EP-1609790-A2 Benzo-1,3-dioxolyl- and benzofuranyl substituted pyrrolidine derivatives as endothelin antagonists Abbott Laboratories (US) 2005-12-28 EP disclosed
US-6946481-B1 Endothelin antagonists ABBOTT LABORATORIES (US) 2005-09-20 US disclosed
CN-1384100-A Benzo-1,3-dioxole and benzofuran substituted pentazane derivative ABBOTT CO (US) 2002-12-11 CN disclosed
CN-1091768-C Novel benzo-1, 3-dioxolyl-and benzofuranyl-substituted pyrrolidine derivatives as endothelin antagonists ABBOTT LAB CO (US) 2002-10-02 CN disclosed
WO-2002017912-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 2002-03-07 WO disclosed
US-6162927-A Endothelin antagonists ABBOTT LABORATORIES (US) 2000-12-19 US disclosed
EP-1003740-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGOISTS Abbott Laboratories (US) 2000-05-31 EP disclosed
CN-1219172-A Novel benzo-1, 3-dioxolyl-and benzofuranyl-substituted pyrrolidine derivatives as endothelin antagonists ABBOTT LAB CO (US) 1999-06-09 CN disclosed
WO-1999006397-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1999-02-11 WO disclosed
EP-0885215-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1998-12-23 EP disclosed
WO-1997030045-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 WO disclosed
EP-0772594-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Abbott Laboratories (US) 1997-05-14 EP disclosed
US-5512581-A ANTIINFLAMMATORY AGENT ABBOTT LABORATORIES (US) 1996-04-30 US disclosed
WO-1996002507-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1996-02-01 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 (1 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-20060229280-A1 Endothelin antagonists EDNRA, EDNRB, ECE1 TSHR 1015/4885HSD17B10 1497/4885MGAM 3782/4885

“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.