SCHEMBL10078968

SCHEMBL10078968

CC1(C)CC[C@]2(C(=O)NCC(F)(F)F)CC[C@]3(C)C(C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)C2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 4/20 1.00
NOS2 P35228 9/20 0.75
KEAP1 Q14145 2/20 0.75
CYP3A4 P08684 2/20 0.75
CYP2C19 P33261 2/20 0.75
CYP2C9 P11712 1/20 0.75
NFE2L2 Q16236 3/20 0.74
USP7 Q93009 2/20 0.74
USP2 O75604 1/20 0.74
STAT3 P40763 1/20 0.74
CCR6 P51684 1/20 0.65
RORC P51449 1/20 0.64

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
SCHEMBL19635897 1.00 MBOAT4 (1.00) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL15469127 1.00 MBOAT4 (1.00) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL7716045 1.00 MBOAT4 (1.00) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL18682368 0.93 MBOAT4 (0.88) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL18682396 0.93 MBOAT4 (0.88) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL18682607 0.93 MBOAT4 (0.88) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL18682612 0.93 MBOAT4 (0.88) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL20983761 0.92 MBOAT4 (0.85) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL21022372 0.92 MBOAT4 (0.85) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL18682395 0.92 MBOAT4 (0.85) 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919838-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with amino and other modifications at C-17 Reata Pharmaceuticals Holdings, LLC (US) 2024-03-05 US disclosed
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-20230250130-A1 C4-MODIFIED OLEANOLIC ACID DERIVATIVES FOR INHIBITION OF IL-17 AND OTHER USES REATA PHARMACEUTICALS, INC. 2023-08-10 US disclosed
US-11584775-B2 C4-modified oleanolic acid derivatives for inhibition of IL-17 and other uses REATA PHARMACEUTICALS, INC. (US) 2023-02-21 US disclosed
US-20220024862-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 REATA PHARMACEUTICALS, INC. (US) 2022-01-27 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-20200289607-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CORNEAL ENDOTHELIUM DISORDERS THE SCHEPENS EYE RESEARCH INSTITUTE, INC. 2020-09-17 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-20120214814-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO ACID AND OTHER MODIFICATIONS AT C-17 REATA PHARMACEUTICALS, INC. 2012-08-23 US disclosed
US-20120101149-A1 Betulinic Acid Derivatives and Methods of Use Thereof REATA PHARMACEUTICALS, INC. 2012-04-26 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-8124656-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with saturation in the C-ring REATA PHARMACEUTICALS, INC. (US) 2012-02-28 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
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

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

For each of this compound's patents that has machine-readable text (16 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-20200289607-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CORNEAL ENDOTHELIUM DISORDERS FECH, KEAP1, NFE2L2 MBOAT4 4178/4885NOS2 366/4885KEAP1 2/4885
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-20120214814-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO ACID AND OTHER MODIFICATIONS AT C-17 IL17A, ALOX15, ALOX12 MBOAT4 364/4885NOS2 35/4885KEAP1 87/4885
US-20230250130-A1 C4-MODIFIED OLEANOLIC ACID DERIVATIVES FOR INHIBITION OF IL-17 AND OTHER USES IL17A, IL23R, ALOX15 MBOAT4 954/4885NOS2 622/4885KEAP1 506/4885
US-11919838-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with amino and other modifications at C-17 IL17A, ALOX15, ALOX12 MBOAT4 415/4885NOS2 41/4885KEAP1 59/4885
US-20220024862-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 IL17A, ALOX15, ALOX12 MBOAT4 415/4885NOS2 41/4885KEAP1 59/4885
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-20120101149-A1 Betulinic Acid Derivatives and Methods of Use Thereof BET1, PGGT1B, CYP3A5 MBOAT4 3063/4885NOS2 1733/4885KEAP1 307/4885
US-11584775-B2 C4-modified oleanolic acid derivatives for inhibition of IL-17 and other uses IL17A, IL23R, ALOX15 MBOAT4 1187/4885NOS2 785/4885KEAP1 515/4885
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.