SCHEMBL82945

SCHEMBL82945

[C-]#[N+]C1=C[C@]2(C)C3=CC(=O)[C@@H]4[C@@H]5CC(C)(C)CC[C@]5(C(=O)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 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.73
KEAP1 Q14145 2/20 0.73
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
MBOAT4 Q96T53 4/20 0.60
USP7 Q93009 2/20 0.60
NFE2L2 Q16236 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
F3 P13726 1/20 0.34
PNLIP P16233 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL12136833 1.00 NOS2 (0.73) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL84160 0.93 NOS2 (0.63) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL13393866 0.93 CYP3A4 (0.73) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL12447479 0.93 CYP3A4 (0.73) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL82937 0.93 CYP3A4 (0.73) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL10175977 0.92 NOS2 (0.62) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL82953 0.92 NOS2 (0.62) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL10175989 0.91 NOS2 (0.60) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL83431 0.91 MBOAT4 (0.62) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL12447445 0.91 MBOAT4 (0.62) NOS2KEAP1CYP3A4CYP2C9CYP2C19

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 60 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-11873320-B2 2,2-difluoropropionamide derivatives of bardoxolone methyl, polymorphic forms and methods of use thereof Reata Pharmaceuticals Holdings, LLC (US) 2024-01-16 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-20180094020-A1 2,2-DIFLUOROPROPIONAMIDE DERIVATIVES OF BARDOXOLONE METHYL, POLYMORPHIC FORMS AND METHODS OF USE THEREOF Reata Pharmaceuticals Holdings, LLC 2018-04-05 US disclosed
US-9889143-B2 C17-heteroaryl derivatives of oleanolic acid and methods of use thereof REATA PHARMACEUTICALS, INC. (US) 2018-02-13 US disclosed
US-20180009839-A1 2,2-DIFLUOROPROPIONAMIDE DERIVATIVES OF BARDOXOLONE METHYL, POLYMORPHIC FORMS AND METHODS OF USE THEREOF REATA PHARMACEUTICALS, INC. (US) 2018-01-11 US disclosed
US-9856286-B2 2,2-difluoropropionamide derivatives of bardoxolone methyl, polymorphic forms and methods of use thereof ABBVIE INC. (US) 2018-01-02 US disclosed
US-20170333450-A1 COMPOSITIONS AND METHODS FOR TREATING HIV-ASSOCIATED COGNITIVE DYSFUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2017-11-23 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-7915402-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with saturation in the C-ring REATA PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
US-20110009363-A1 SYNTHESIS AND BIOLOGICAL ACTIVITIES OF NEW TRICYCLIC-BIS-ENONES (TBES) NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 US disclosed
US-7714012-B2 Synthesis and biological activities of new tricyclic-bis-enones (TBEs) TRUSTEES OF DARTMOUTH UNIVERSITY (US) 2010-05-11 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-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
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-20080261985-A1 SYNTHESIS AND BIOLOGICAL ACTIVITIES OF NEW TRICYCLIC-BIS-ENONES (TBES) TRUSTEES OF DARTMOUTH COLLEGE 2008-10-23 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 (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-20170333450-A1 COMPOSITIONS AND METHODS FOR TREATING HIV-ASSOCIATED COGNITIVE DYSFUNCTION CD14, CCL2, CCR5 NOS2 14/4885KEAP1 107/4885CYP3A4 1565/4885
US-11911395-B2 Methods of treating obesity using antioxidant inflammation modulators TXNRD2, HMOX1, GPX4 NOS2 83/4885KEAP1 60/4885CYP3A4 2104/4885
US-20080261985-A1 SYNTHESIS AND BIOLOGICAL ACTIVITIES OF NEW TRICYCLIC-BIS-ENONES (TBES) HMOX1, MCL1, HMOX2 NOS2 7/4885KEAP1 38/4885CYP3A4 68/4885
US-20090326063-A1 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE LIPG, CYP27A1, CYP11B1 NOS2 378/4885KEAP1 444/4885CYP3A4 752/4885
US-20180161311-A1 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE LIPG, CYP27A1, CYP11B1 NOS2 378/4885KEAP1 444/4885CYP3A4 752/4885
US-20090048205-A1 COMBINATION THERAPY WITH SYNTHETIC TRITERPENOIDS AND GEMCITABINE RABGGTB, BAD, PGGT1B NOS2 3154/4885KEAP1 1567/4885CYP3A4 1771/4885
US-20110009363-A1 SYNTHESIS AND BIOLOGICAL ACTIVITIES OF NEW TRICYCLIC-BIS-ENONES (TBES) HMOX1, MCL1, HMOX2 NOS2 7/4885KEAP1 38/4885CYP3A4 68/4885
US-20090060873-A1 Novel synthetic triterpenoids and methods of use in the treatment and prevention of multiple scleroris GAP43, BDNF, PMP22 NOS2 2334/4885KEAP1 261/4885CYP3A4 1761/4885
US-11919838-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with amino and other modifications at C-17 IL17A, ALOX15, ALOX12 NOS2 41/4885KEAP1 59/4885CYP3A4 679/4885
US-20100056777-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING HMOX1, ALOX12, ALOX15 NOS2 25/4885KEAP1 56/4885CYP3A4 483/4885
US-20100048911-A1 ANTIOXIDANT INFLAMMATION MODULATORS: NOVEL DERIVATIVES OF OLEANOLIC ACID ALOX12, NFE2L2, HMOX1 NOS2 66/4885KEAP1 29/4885CYP3A4 1940/4885
US-11873320-B2 2,2-difluoropropionamide derivatives of bardoxolone methyl, polymorphic forms and methods of use thereof CYP2A13, CYP4B1, CYP4A22 NOS2 1348/4885KEAP1 1496/4885CYP3A4 86/4885
US-20100048892-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 IL17A, ALOX15, ALOX12 NOS2 41/4885KEAP1 59/4885CYP3A4 679/4885
US-20180009839-A1 2,2-DIFLUOROPROPIONAMIDE DERIVATIVES OF BARDOXOLONE METHYL, POLYMORPHIC FORMS AND METHODS OF USE THEREOF CYP2A13, CYP4B1, CYP4A22 NOS2 1348/4885KEAP1 1496/4885CYP3A4 86/4885
US-20180094020-A1 2,2-DIFLUOROPROPIONAMIDE DERIVATIVES OF BARDOXOLONE METHYL, POLYMORPHIC FORMS AND METHODS OF USE THEREOF CYP2A13, CYP4B1, CYP4A22 NOS2 1348/4885KEAP1 1496/4885CYP3A4 86/4885

“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.