SCHEMBL84163

SCHEMBL84163

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

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.74
MBOAT4 Q96T53 4/20 0.74
USP7 Q93009 2/20 0.74
STAT3 P40763 2/20 0.74
USP2 O75604 1/20 0.74
RORC P51449 1/20 0.66
NOS2 P35228 7/20 0.60
KEAP1 Q14145 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
CCR6 P51684 1/20 0.52

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
SCHEMBL12200341 1.00 NFE2L2 (0.74) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL83735 0.92 NFE2L2 (0.63) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL12125024 0.92 NFE2L2 (0.63) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL15382999 0.92 NFE2L2 (0.74) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL15382991 0.92 NFE2L2 (0.74) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL12447444 0.91 NFE2L2 (0.62) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL82945 0.91 NOS2 (0.73) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL12447479 0.91 CYP3A4 (0.73) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL82937 0.91 CYP3A4 (0.73) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL13393866 0.91 CYP3A4 (0.73) NFE2L2MBOAT4USP7STAT3USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757359-B2 Synthetic triterpenoids and methods of use in the treatment of disease REATA PHARMACEUTICALS, INC. (US) 2017-09-12 US disclosed
US-9701709-B2 2,2-difluoropropionamide derivatives of bardoxolone methyl, polymorphic forms and methods of use thereof REATA PHARMACEUTICALS, INC. (US) 2017-07-11 US disclosed
US-9670147-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with amino and other modifications at C-17 REATA PHARMACEUTICALS, INC. (US) 2017-06-06 US disclosed
US-9556222-B2 A-ring epoxidized triterpenoid-based anti-inflammation modulators and methods of use thereof REATA PHARMACEUTICALS, INC. (US) 2017-01-31 US disclosed
US-9278913-B2 Therapeutic compounds and methods of use TRUSTEES OF DARTMOUTH COLLEGE (US) 2016-03-08 US disclosed
US-9249089-B2 Antioxidant inflammation modulators: C-17 homologated oleanolic acid derivatives REATA PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-9233998-B2 Natural product analogs including an anti-inflammatory cyanoenone pharmacore and methods of use REATA PHARMACEUTICALS, INC. (US) 2016-01-12 US disclosed
US-20150376121-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 REATA PHARMACEUTICALS, INC. (US) 2015-12-31 US disclosed
US-9205113-B2 Synthetic triterpenoids and methods for modulating stem/progenitor cell gene expression TRUSTEES OF DARTMOUTH COLLEGE (US) 2015-12-08 US disclosed
US-20150259377-A1 2,2-DIFLUOROPROPIONAMIDE DERIVATIVES OF BARDOXOLONE METHYL, POLYMORPHIC FORMS AND METHODS OF USE THEREOF REATA PHARMACEUTICALS, INC. (US) 2015-09-17 US disclosed
US-20110245206-A1 ANTIOXIDANT INFLAMMATION MODULATORS: C-17 HOMOLOGATED OLEANOLIC ACID DERIVATIVES REATA PHARMACEUTICALS, INC. 2011-10-06 US disclosed
US-7943778-B2 Antioxidant inflammation modulators: C-17 homologated oleanolic acid derivatives REATA PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-7915402-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with saturation in the C-ring REATA PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
US-20100056777-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING REATA PHARMACEUTICALS, INC. 2010-03-04 US disclosed
US-20100048892-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 REATA PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-20100048911-A1 ANTIOXIDANT INFLAMMATION MODULATORS: NOVEL DERIVATIVES OF OLEANOLIC ACID REATA PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-20100041904-A1 ANTIOXIDANT INFLAMMATION MODULATORS: C-17 HOMOLOGATED OLEANOLIC ACID DERIVATIVES REATA PHARMACEUTICALS, INC. 2010-02-18 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-20090048205-A1 COMBINATION THERAPY WITH SYNTHETIC TRITERPENOIDS AND GEMCITABINE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-02-19 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 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 (10 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 NFE2L2 1232/4885MBOAT4 3110/4885USP7 2231/4885
US-20090326063-A1 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE LIPG, CYP27A1, CYP11B1 NFE2L2 315/4885MBOAT4 1458/4885USP7 4046/4885
US-20090048205-A1 COMBINATION THERAPY WITH SYNTHETIC TRITERPENOIDS AND GEMCITABINE RABGGTB, BAD, PGGT1B NFE2L2 1455/4885MBOAT4 1132/4885USP7 3609/4885
US-20150376121-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 IL17A, ALOX15, ALOX12 NFE2L2 9/4885MBOAT4 415/4885USP7 484/4885
US-20100056777-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING HMOX1, ALOX12, ALOX15 NFE2L2 4/4885MBOAT4 650/4885USP7 1310/4885
US-20100041904-A1 ANTIOXIDANT INFLAMMATION MODULATORS: C-17 HOMOLOGATED OLEANOLIC ACID DERIVATIVES IL17A, ALOX15, ALOX12 NFE2L2 6/4885MBOAT4 500/4885USP7 753/4885
US-20100048911-A1 ANTIOXIDANT INFLAMMATION MODULATORS: NOVEL DERIVATIVES OF OLEANOLIC ACID ALOX12, NFE2L2, HMOX1 NFE2L2 2/4885MBOAT4 658/4885USP7 2396/4885
US-20100048892-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 IL17A, ALOX15, ALOX12 NFE2L2 9/4885MBOAT4 415/4885USP7 484/4885
US-20150259377-A1 2,2-DIFLUOROPROPIONAMIDE DERIVATIVES OF BARDOXOLONE METHYL, POLYMORPHIC FORMS AND METHODS OF USE THEREOF CYP2A13, CYP4B1, CYP4A22 NFE2L2 437/4885MBOAT4 3396/4885USP7 1030/4885
US-20110245206-A1 ANTIOXIDANT INFLAMMATION MODULATORS: C-17 HOMOLOGATED OLEANOLIC ACID DERIVATIVES IL17A, ALOX15, ALOX12 NFE2L2 6/4885MBOAT4 500/4885USP7 753/4885

“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.