SCHEMBL91616

SCHEMBL91616

CNC(=O)[C@]12CCC(C)(C)CC1C1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 4/20 0.84
NOS2 P35228 9/20 0.83
KEAP1 Q14145 2/20 0.83
CYP3A4 P08684 2/20 0.83
CYP2C19 P33261 2/20 0.83
CYP2C9 P11712 1/20 0.83
NFE2L2 Q16236 3/20 0.82
USP7 Q93009 2/20 0.82
USP2 O75604 1/20 0.82
STAT3 P40763 1/20 0.82
CCR6 P51684 1/20 0.71
RORC P51449 1/20 0.70

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
SCHEMBL7717247 1.00 MBOAT4 (0.84) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL22428638 1.00 MBOAT4 (0.84) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL19635891 1.00 MBOAT4 (0.84) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL13499871 1.00 MBOAT4 (0.84) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL15021390 1.00 MBOAT4 (0.84) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL4192575 0.93 MBOAT4 (0.84) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL3489259 0.93 MBOAT4 (0.84) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL13569164 0.93 MBOAT4 (0.84) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL13569167 0.93 MBOAT4 (0.84) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL24450687 0.93 MBOAT4 (0.88) MBOAT4NOS2KEAP1CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11911395-B2 Methods of treating obesity using antioxidant inflammation modulators Reata Pharmaceuticals Holdings, LLC (US) 2024-02-27 US disclosed
US-20230285500-A1 Compositions and Methods for Gene Therapy for Corneal Endothelium Disorders THE SCHEPENS EYE RESEARCH INSTITUTE, INC. 2023-09-14 US disclosed
US-20230255982-A1 METHODS OF TREATING COVID-19 USING BARDOXOLONE METHYL OR ANALOGS THEREOF Reata Pharmaceuticals Holdings, LLC (US) 2023-08-17 US disclosed
US-20210161914-A1 METHODS OF TREATING ALPORT SYNDROME USING BARDOXOLONE METHYL OR ANALOGS THEREOF REATA PHARMACEUTICALS, INC. (US) 2021-06-03 US disclosed
US-10953020-B2 Methods of treating Alport syndrome using bardoxolone methyl or analogs thereof REATA PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
US-20190350941-A1 METHODS OF TREATING ALPORT SYNDROME USING BARDOXOLONE METHYL OR ANALOGS THEREOF REATA PHARMACEUTICALS, INC. (US) 2019-11-21 US disclosed
US-20190091194-A1 METHODS OF TREATING AND PREVENTING ENDOTHELIAL DYSFUNCTION USING BARDOXOLONE METHYL OR ANALOGS THEREOF REATA PHARMACEUTICALS, INC. 2019-03-28 US disclosed
US-20190076443-A1 METHODS OF TREATING OBESITY USING ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS, INC. 2019-03-14 US disclosed
US-20180161311-A1 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE REATA PHARMACEUTICALS, INC. (US) 2018-06-14 US disclosed
US-9757359-B2 Synthetic triterpenoids and methods of use in the treatment of disease REATA PHARMACEUTICALS, INC. (US) 2017-09-12 US disclosed
US-20140377235-A1 METHODS FOR USING SYNTHETIC TRITERPENOIDS IN THE TREATMENT OF BONE OR CARTILAGE DISEASES OR CONDITIONS TRUSTEES OF DARTMOUTH COLLEGE 2014-12-25 US disclosed
WO-2013169740-A2 SYNTHETIC TRITERPENOIDS AND METHODS FOR MODULATING STEM/PROGENITOR CELL GENE EXPRESSION TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-11-14 WO disclosed
US-20120220652-A1 Synthetic Triterpenoids and Methods of Use in the Treatment of Disease REATA PHARMACEUTICALS, INC. 2012-08-30 US disclosed
US-8129429-B2 Synthetic triterpenoids and methods of use in the treatment of disease REATA PHARMACEUTICALS, INC. (US) 2012-03-06 US disclosed
US-20110281955-A1 METHODS OF TREATING OBESITY USING ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS (US) 2011-11-17 US disclosed
US-20090326063-A1 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE REATA PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20090060873-A1 Novel synthetic triterpenoids and methods of use in the treatment and prevention of multiple scleroris REATA PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
WO-2009023845-A2 COMBINATION THERAPY WITH SYNTHETIC TRITERPENOIDS AND GEMCITABINE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-02-19 WO disclosed
US-20090048205-A1 COMBINATION THERAPY WITH SYNTHETIC TRITERPENOIDS AND GEMCITABINE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-02-19 US disclosed
WO-2008136838-A1 NOVEL AMIDE DERIVATIVES OF CDDO AND METHODS OF USE THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2008-11-13 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 (15 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-11911395-B2 Methods of treating obesity using antioxidant inflammation modulators TXNRD2, HMOX1, GPX4 MBOAT4 92/4885NOS2 83/4885KEAP1 60/4885
US-20140377235-A1 METHODS FOR USING SYNTHETIC TRITERPENOIDS IN THE TREATMENT OF BONE OR CARTILAGE DISEASES OR CONDITIONS BMP2, BMP4, BMP1 MBOAT4 2029/4885NOS2 1085/4885KEAP1 1977/4885
US-20090326063-A1 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE LIPG, CYP27A1, CYP11B1 MBOAT4 1458/4885NOS2 378/4885KEAP1 444/4885
US-20180161311-A1 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE LIPG, CYP27A1, CYP11B1 MBOAT4 1458/4885NOS2 378/4885KEAP1 444/4885
US-20190350941-A1 METHODS OF TREATING ALPORT SYNDROME USING BARDOXOLONE METHYL OR ANALOGS THEREOF HSD11B2, CYP21A2, HSD11B1 MBOAT4 912/4885NOS2 3518/4885KEAP1 694/4885
US-20090048205-A1 COMBINATION THERAPY WITH SYNTHETIC TRITERPENOIDS AND GEMCITABINE RABGGTB, BAD, PGGT1B MBOAT4 1132/4885NOS2 3154/4885KEAP1 1567/4885
US-20190091194-A1 METHODS OF TREATING AND PREVENTING ENDOTHELIAL DYSFUNCTION USING BARDOXOLONE METHYL OR ANALOGS THEREOF EDNRA, EDNRB, CYP11B1 MBOAT4 1348/4885NOS2 40/4885KEAP1 53/4885
US-20090060873-A1 Novel synthetic triterpenoids and methods of use in the treatment and prevention of multiple scleroris GAP43, BDNF, PMP22 MBOAT4 3122/4885NOS2 2334/4885KEAP1 261/4885
US-20190076443-A1 METHODS OF TREATING OBESITY USING ANTIOXIDANT INFLAMMATION MODULATORS TXNRD2, HMOX1, GPX4 MBOAT4 92/4885NOS2 83/4885KEAP1 60/4885
US-20120220652-A1 Synthetic Triterpenoids and Methods of Use in the Treatment of Disease LIPG, CYP27A1, CYP11B1 MBOAT4 1458/4885NOS2 378/4885KEAP1 444/4885
US-20210161914-A1 METHODS OF TREATING ALPORT SYNDROME USING BARDOXOLONE METHYL OR ANALOGS THEREOF HSD11B2, CYP21A2, HSD11B1 MBOAT4 912/4885NOS2 3518/4885KEAP1 694/4885
US-20230255982-A1 METHODS OF TREATING COVID-19 USING BARDOXOLONE METHYL OR ANALOGS THEREOF CYP17A1, HSD11B2, HSD11B1 MBOAT4 619/4885NOS2 471/4885KEAP1 207/4885
US-20110281955-A1 METHODS OF TREATING OBESITY USING ANTIOXIDANT INFLAMMATION MODULATORS TXNRD2, HMOX1, GPX4 MBOAT4 92/4885NOS2 83/4885KEAP1 60/4885
US-20230285500-A1 Compositions and Methods for Gene Therapy for Corneal Endothelium Disorders KEAP1, NFE2L2, TFAM MBOAT4 3834/4885NOS2 540/4885KEAP1 1/4885
US-10953020-B2 Methods of treating Alport syndrome using bardoxolone methyl or analogs thereof HSD11B2, CYP21A2, HSD11B1 MBOAT4 912/4885NOS2 3518/4885KEAP1 694/4885

“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.