SCHEMBL10169627

SCHEMBL10169627

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 8/20 0.56
KEAP1 Q14145 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
MBOAT4 Q96T53 4/20 0.53
USP7 Q93009 2/20 0.53
NFE2L2 Q16236 2/20 0.53
USP2 O75604 1/20 0.53
STAT3 P40763 1/20 0.53
CCR6 P51684 1/20 0.48
RORC P51449 1/20 0.47

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
SCHEMBL10169616 0.91 NOS2 (0.57) NOS2KEAP1CYP3A4CYP2C19CYP2C9
SCHEMBL83736 0.91 NOS2 (0.57) NOS2KEAP1CYP3A4CYP2C19CYP2C9
SCHEMBL10169626 0.88 NOS2 (0.55) NOS2KEAP1CYP3A4CYP2C19CYP2C9
SCHEMBL12136833 0.88 NOS2 (0.73) NOS2KEAP1CYP3A4CYP2C19CYP2C9
SCHEMBL82937 0.88 CYP3A4 (0.73) NOS2KEAP1CYP3A4CYP2C19CYP2C9
SCHEMBL13393866 0.88 CYP3A4 (0.73) NOS2KEAP1CYP3A4CYP2C19CYP2C9
SCHEMBL12447479 0.88 CYP3A4 (0.73) NOS2KEAP1CYP3A4CYP2C19CYP2C9
SCHEMBL12200137 0.88 NOS2 (0.54) NOS2KEAP1CYP3A4CYP2C19CYP2C9
SCHEMBL82945 0.88 NOS2 (0.73) NOS2KEAP1CYP3A4CYP2C19CYP2C9
SCHEMBL10169638 0.87 CYP3A4 (0.56) NOS2KEAP1CYP3A4CYP2C19CYP2C9

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 18 patents. 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-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-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-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-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-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-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-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-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-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-8993640-B2 2,2-difluoropropionamide derivatives of bardoxolone methyl, polymorphic forms and methods of use thereof REATA PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20140323579-A1 2,2-DIFLUOROPROPIONAMIDE DERIVATIVES OF BARDOXOLONE METHYL, POLYMORPHIC FORMS AND METHODS OF USE THEREOF REATA PHARMACEUTICALS, INC. 2014-10-30 US disclosed
US-8440854-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with amino acid and other modifications at C-17 REATA PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20120238767-A1 ANTIOXIDANT INFLAMMATION MODULATORS: NOVEL DERIVATIVES OF OLEANOLIC ACID REATA PHARMACEUTICALS, INC. 2012-09-20 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-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 (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-20120238767-A1 ANTIOXIDANT INFLAMMATION MODULATORS: NOVEL DERIVATIVES OF OLEANOLIC ACID ALOX12, NFE2L2, HMOX1 NOS2 66/4885KEAP1 29/4885CYP3A4 1940/4885
US-20120214814-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO ACID AND OTHER MODIFICATIONS AT C-17 IL17A, ALOX15, ALOX12 NOS2 35/4885KEAP1 87/4885CYP3A4 891/4885
US-20180002277-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 IL17A, ALOX15, ALOX12 NOS2 41/4885KEAP1 59/4885CYP3A4 679/4885
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-20150376121-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-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-20140323579-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-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
US-20150259377-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.