SCHEMBL82937

SCHEMBL82937

[C-]#[N+]C1=C[C@]2(C)C3=CC(=O)[C@@H]4[C@@H]5CC(C)(C)CC[C@]5(C(C)=O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)C1=O

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.73
CYP2C19 P33261 2/20 0.73
CYP2C9 P11712 1/20 0.73
NOS2 P35228 9/20 0.63
KEAP1 Q14145 2/20 0.63
MBOAT4 Q96T53 4/20 0.60
NFE2L2 Q16236 3/20 0.60
USP7 Q93009 2/20 0.60
USP2 O75604 1/20 0.60
STAT3 P40763 1/20 0.60
CCR6 P51684 1/20 0.54
RORC P51449 1/20 0.53

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
SCHEMBL12447479 1.00 CYP3A4 (0.73) CYP3A4CYP2C19CYP2C9NOS2KEAP1
SCHEMBL13393866 1.00 CYP3A4 (0.73) CYP3A4CYP2C19CYP2C9NOS2KEAP1
SCHEMBL12136833 0.93 NOS2 (0.73) CYP3A4CYP2C19CYP2C9NOS2KEAP1
SCHEMBL82945 0.93 NOS2 (0.73) CYP3A4CYP2C19CYP2C9NOS2KEAP1
SCHEMBL10175977 0.92 NOS2 (0.62) CYP3A4CYP2C19CYP2C9NOS2KEAP1
SCHEMBL82953 0.92 NOS2 (0.62) CYP3A4CYP2C19CYP2C9NOS2KEAP1
SCHEMBL84160 0.91 NOS2 (0.63) CYP3A4CYP2C19CYP2C9NOS2KEAP1
SCHEMBL10175989 0.91 NOS2 (0.60) CYP3A4CYP2C19CYP2C9NOS2KEAP1
SCHEMBL12447445 0.91 MBOAT4 (0.62) CYP3A4CYP2C19CYP2C9NOS2KEAP1
SCHEMBL83431 0.91 MBOAT4 (0.62) CYP3A4CYP2C19CYP2C9NOS2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20160175380-A1 Compositions and Methods of Treatment of Corneal Endothelium Disorders NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-06-23 US disclosed
US-20150080465-A1 METHODS OF TREATING AND PREVENTING ENDOTHELIAL DYSFUNCTION USING BARDOXOLONE METHYL OR ANALOGS THEREOF REATA PHARMACEUTICALS, INC. (US) 2015-03-19 US disclosed
US-20130288985-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CORNEAL ENDOTHELIUM DISORDERS THE SCHEPENS EYE RESEARCH INSTITUTE INC. (US) 2013-10-31 US disclosed
US-8455544-B2 Synthetic triterpenoids and methods of use in the treatment of disease Reata Pharmaecuticals, Inc. (US) 2013-06-04 US disclosed
US-20130122053-A1 SYNTHETIC TRITERPENOIDS AND TRICYCLIC-BIS-ENONES FOR USE IN STIMULATING BONE AND CARTILAGE GROWTH TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-05-16 US disclosed
US-8338618-B2 Antioxidant inflammation modulators: novel derivatives of oleanolic acid REATA PHARMACEUTICALS, INC. (US) 2012-12-25 US disclosed
US-20120238767-A1 ANTIOXIDANT INFLAMMATION MODULATORS: NOVEL DERIVATIVES OF OLEANOLIC ACID REATA PHARMACEUTICALS, INC. 2012-09-20 US 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 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-20160175380-A1 Compositions and Methods of Treatment of Corneal Endothelium Disorders FECH, KEAP1, NFE2L2 CYP3A4 2300/4885CYP2C19 1603/4885CYP2C9 2230/4885
US-20130288985-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CORNEAL ENDOTHELIUM DISORDERS FECH, KEAP1, NFE2L2 CYP3A4 2300/4885CYP2C19 1603/4885CYP2C9 2230/4885
US-20120238767-A1 ANTIOXIDANT INFLAMMATION MODULATORS: NOVEL DERIVATIVES OF OLEANOLIC ACID ALOX12, NFE2L2, HMOX1 CYP3A4 1940/4885CYP2C19 3425/4885CYP2C9 2661/4885
US-20090326063-A1 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE LIPG, CYP27A1, CYP11B1 CYP3A4 752/4885CYP2C19 1399/4885CYP2C9 2272/4885
US-20180161311-A1 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE LIPG, CYP27A1, CYP11B1 CYP3A4 752/4885CYP2C19 1399/4885CYP2C9 2272/4885
US-20130122053-A1 SYNTHETIC TRITERPENOIDS AND TRICYCLIC-BIS-ENONES FOR USE IN STIMULATING BONE AND CARTILAGE GROWTH BMP4, BMP2, BMP1 CYP3A4 987/4885CYP2C19 2468/4885CYP2C9 3044/4885
US-20090060873-A1 Novel synthetic triterpenoids and methods of use in the treatment and prevention of multiple scleroris GAP43, BDNF, PMP22 CYP3A4 1761/4885CYP2C19 3659/4885CYP2C9 4191/4885
US-20120220652-A1 Synthetic Triterpenoids and Methods of Use in the Treatment of Disease LIPG, CYP27A1, CYP11B1 CYP3A4 752/4885CYP2C19 1399/4885CYP2C9 2272/4885
US-20230255982-A1 METHODS OF TREATING COVID-19 USING BARDOXOLONE METHYL OR ANALOGS THEREOF CYP17A1, HSD11B2, HSD11B1 CYP3A4 1144/4885CYP2C19 298/4885CYP2C9 1879/4885
US-20150080465-A1 METHODS OF TREATING AND PREVENTING ENDOTHELIAL DYSFUNCTION USING BARDOXOLONE METHYL OR ANALOGS THEREOF EDNRA, EDNRB, CYP11B1 CYP3A4 3779/4885CYP2C19 3141/4885CYP2C9 4607/4885
US-20230285500-A1 Compositions and Methods for Gene Therapy for Corneal Endothelium Disorders KEAP1, NFE2L2, TFAM CYP3A4 4327/4885CYP2C19 3997/4885CYP2C9 4276/4885

“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.