SCHEMBL706403

SCHEMBL706403

CCC(=O)N[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=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 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.74
KEAP1 Q14145 2/20 0.74
MBOAT4 Q96T53 4/20 0.73
CYP3A4 P08684 2/20 0.71
CYP2C19 P33261 2/20 0.71
CYP2C9 P11712 1/20 0.71
NFE2L2 Q16236 2/20 0.71
USP7 Q93009 2/20 0.71
USP2 O75604 1/20 0.71
STAT3 P40763 1/20 0.71
CCR6 P51684 1/20 0.62
RORC P51449 1/20 0.61

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
SCHEMBL10212158 1.00 NOS2 (0.74) NOS2KEAP1MBOAT4CYP3A4CYP2C19
SCHEMBL706404 1.00 NOS2 (0.74) NOS2KEAP1MBOAT4CYP3A4CYP2C19
SCHEMBL23553394 1.00 NOS2 (0.74) NOS2KEAP1MBOAT4CYP3A4CYP2C19
SCHEMBL14931249 1.00 NOS2 (0.74) NOS2KEAP1MBOAT4CYP3A4CYP2C19
SCHEMBL13666203 0.92 MBOAT4 (0.71) NOS2KEAP1MBOAT4CYP3A4CYP2C19
SCHEMBL14931397 0.92 MBOAT4 (0.73) NOS2KEAP1MBOAT4CYP3A4CYP2C19
SCHEMBL1036288 0.92 MBOAT4 (0.73) NOS2KEAP1MBOAT4CYP3A4CYP2C19
SCHEMBL1036286 0.92 MBOAT4 (0.73) NOS2KEAP1MBOAT4CYP3A4CYP2C19
SCHEMBL21882544 0.92 NOS2 (0.69) NOS2KEAP1MBOAT4CYP3A4CYP2C19
SCHEMBL10212066 0.92 MBOAT4 (0.73) NOS2KEAP1MBOAT4CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353813-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 Reata Pharmaceuticals Holdings, LLC (US) 2025-11-20 US disclosed
US-12358866-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with amino and other modifications at C-17 Reata Pharmaceuticals Holdings, LLC (US) 2025-07-15 US disclosed
US-20240317676-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 Reata Pharmaceuticals Holdings, LLC (US) 2024-09-26 US disclosed
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-20230255982-A1 METHODS OF TREATING COVID-19 USING BARDOXOLONE METHYL OR ANALOGS THEREOF Reata Pharmaceuticals Holdings, LLC (US) 2023-08-17 US disclosed
US-20230111914-A1 SYNTHETIC TRITERPENOIDS WITH NITROGEN-BASED SUBSTITUENTS AT C-17 AND METHODS OF USE THEREOF REATA PHARMACEUTICALS, INC. 2023-04-13 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-11091430-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with amino and other modifications at c-17 REATA PHARMACEUTICALS, INC. (US) 2021-08-17 US disclosed
EP-3444261-B1 2,2-DIFLUOROPROPIONAMIDE DERIVATIVE OF BARDOXOLONE METHYL, PHARMACEUTICAL COMPOSITIONS AND POLYMORPHS THEREOF FOR USE IN TREATING CERTAIN CONDITIONS REATA PHARMACEUTICALS INC (US) 2021-01-13 EP disclosed
US-20200239410-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 REATA PHARMACEUTICALS, INC. (US) 2020-07-30 US disclosed
US-20180002277-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 REATA PHARMACEUTICALS, INC. (US) 2018-01-04 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
EP-2841445-B1 2.2-DIFLUOROPROPIONAMIDE DERIVATIVES OF BARDOXOLONE METHYL, POLYMORPHIC FORMS AND METHODS OF USE THEREOF REATA PHARMACEUTICALS INC (US) 2017-06-14 EP 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-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-9102681-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with amino and other modifications at C-17 REATA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20130317007-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 REATA PHARMACEUTICALS, INC. (US) 2013-11-28 US disclosed
WO-2013163344-A1 2.2-DIFLUOROPROPIONAMIDE DERIVATIVES OF BARDOXOLONE METHYL, POLYMORPHIC FORMS AND METHODS OF USE THEREOF REATA PHARMACEUTICALS, INC. (US) 2013-10-31 WO disclosed
US-8124799-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with amino and other modifications at C-17 REATA PHARMACEUTICALS, INC. (US) 2012-02-28 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

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

For each of this compound's patents that has machine-readable text (14 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 107/4885MBOAT4 3418/4885
US-20240317676-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 IL17A, ALOX15, ALOX12 NOS2 41/4885KEAP1 59/4885MBOAT4 415/4885
US-12358866-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with amino and other modifications at C-17 IL17A, ALOX15, ALOX12 NOS2 41/4885KEAP1 59/4885MBOAT4 415/4885
US-20230111914-A1 SYNTHETIC TRITERPENOIDS WITH NITROGEN-BASED SUBSTITUENTS AT C-17 AND METHODS OF USE THEREOF CYP11B1, CYP11B2, IL17A NOS2 16/4885KEAP1 327/4885MBOAT4 3326/4885
US-20180002277-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 IL17A, ALOX15, ALOX12 NOS2 41/4885KEAP1 59/4885MBOAT4 415/4885
US-11919838-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with amino and other modifications at C-17 IL17A, ALOX15, ALOX12 NOS2 41/4885KEAP1 59/4885MBOAT4 415/4885
US-20220024862-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 IL17A, ALOX15, ALOX12 NOS2 41/4885KEAP1 59/4885MBOAT4 415/4885
US-20200239410-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 IL17A, ALOX15, ALOX12 NOS2 41/4885KEAP1 59/4885MBOAT4 415/4885
US-20150376121-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 IL17A, ALOX15, ALOX12 NOS2 41/4885KEAP1 59/4885MBOAT4 415/4885
US-20130317007-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 IL17A, ALOX15, ALOX12 NOS2 41/4885KEAP1 59/4885MBOAT4 415/4885
US-11091430-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with amino and other modifications at c-17 IL17A, ALOX15, ALOX12 NOS2 41/4885KEAP1 59/4885MBOAT4 415/4885
US-20230255982-A1 METHODS OF TREATING COVID-19 USING BARDOXOLONE METHYL OR ANALOGS THEREOF CYP17A1, HSD11B2, HSD11B1 NOS2 471/4885KEAP1 207/4885MBOAT4 619/4885
US-20100048892-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 IL17A, ALOX15, ALOX12 NOS2 41/4885KEAP1 59/4885MBOAT4 415/4885
US-20250353813-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 IL17A, ALOX15, ALOX12 NOS2 41/4885KEAP1 59/4885MBOAT4 415/4885

“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.