SCHEMBL92364

SCHEMBL92364

CC1(C)CC[C@]2(C(=O)Cl)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 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.85
KEAP1 Q14145 2/20 0.85
CYP3A4 P08684 2/20 0.85
CYP2C19 P33261 2/20 0.85
CYP2C9 P11712 1/20 0.85
MBOAT4 Q96T53 4/20 0.81
NFE2L2 Q16236 2/20 0.81
USP7 Q93009 2/20 0.81
USP2 O75604 1/20 0.81
STAT3 P40763 1/20 0.81
CCR6 P51684 1/20 0.73
RORC P51449 1/20 0.70

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
SCHEMBL27366678 1.00 NOS2 (0.85) NOS2KEAP1CYP3A4CYP2C19CYP2C9
SCHEMBL17553223 1.00 NOS2 (0.85) NOS2KEAP1CYP3A4CYP2C19CYP2C9
SCHEMBL22964810 1.00 NOS2 (0.85) NOS2KEAP1CYP3A4CYP2C19CYP2C9
SCHEMBL30988442 1.00 NOS2 (0.85) NOS2KEAP1CYP3A4CYP2C19CYP2C9
SCHEMBL18973358 1.00 NOS2 (0.85) NOS2KEAP1CYP3A4CYP2C19CYP2C9
Bardoxolone SCHEMBL24337284 0.92 NOS2 (1.00) NOS2KEAP1CYP3A4CYP2C19CYP2C9
Bardoxolone SCHEMBL954253 0.92 NOS2 (1.00) NOS2KEAP1CYP3A4CYP2C19CYP2C9
Bardoxolone SCHEMBL19236126 0.92 NOS2 (1.00) NOS2KEAP1CYP3A4CYP2C19CYP2C9
Bardoxolone SCHEMBL92342 0.92 NOS2 (1.00) NOS2KEAP1CYP3A4CYP2C19CYP2C9
SCHEMBL18572801 0.92 CYP3A4 (1.00) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210137947-A1 C17-HETEROARYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF REATA PHARMACEUTICALS, INC. (US) 2021-05-13 US disclosed
US-20210040142-A1 C17 POLAR-SUBSTITUTED HETEROAROMATIC SYNTHETIC TRITERPENOIDS AND METHODS OF USE THEREOF REATA PHARMACEUTICALS, INC. (US) 2021-02-11 US disclosed
US-20200129530-A1 C17-HETEROARYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF REATA PHARMACEUTICALS, INC. (US) 2020-04-30 US disclosed
US-10398711-B2 C17-heteroaryl derivatives of oleanolic acid and methods of use thereof REATA PHARMACEUTICALS, INC. (US) 2019-09-03 US disclosed
EP-3492077-A1 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE Reata Pharmaceuticals, Inc. (US) 2019-06-05 EP disclosed
EP-2252283-B9 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE REATA PHARMACEUTICALS INC (US) 2019-03-20 EP 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-9889143-B2 C17-heteroaryl derivatives of oleanolic acid and methods of use thereof REATA PHARMACEUTICALS, INC. (US) 2018-02-13 US disclosed
US-20170165278-A1 C17-HETEROARYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF REATA PHARMACEUTICALS, INC. (US) 2017-06-15 US disclosed
US-9512094-B2 C17-heteroaryl derivatives of oleanolic acid and methods of use thereof REATA PHARMACEUTICALS, INC. (US) 2016-12-06 US disclosed
US-20150225352-A1 CDDO-ME AMINO ACID CONJUGATES AND METHODS OF USE TRUSTEES OF DARTMOUTH COLLEGE (US) 2015-08-13 US disclosed
US-20150152071-A1 C17-HETEROARYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF REATA PHARMACEUTICALS, INC. (US) 2015-06-04 US disclosed
US-20140088163-A1 C17-HETEROARYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF REATA PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
WO-2013074556-A1 METHODS OF INDUCING CHONDROGENESIS IN MESENCHYMAL STEM CELLS USING SYNTHETIC TRITERPENOIDS TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-05-23 WO 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-20090326063-A1 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE REATA PHARMACEUTICALS, INC. 2009-12-31 US disclosed
WO-2009089545-A1 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE REATA PHARMACEUTICALS, INC. (US) 2009-07-16 WO 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
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
WO-2008136838-A1 NOVEL AMIDE DERIVATIVES OF CDDO AND METHODS OF USE THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2008-11-13 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 (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-20150152071-A1 C17-HETEROARYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF CYP46A1, CYP11B1, ALOX12 NOS2 534/4885KEAP1 170/4885CYP3A4 105/4885
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-20150225352-A1 CDDO-ME AMINO ACID CONJUGATES AND METHODS OF USE DAO, DDO, HAAO NOS2 113/4885KEAP1 622/4885CYP3A4 1948/4885
US-20210137947-A1 C17-HETEROARYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF CYP46A1, CYP11B1, ALOX12 NOS2 534/4885KEAP1 170/4885CYP3A4 105/4885
US-20170165278-A1 C17-HETEROARYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF CYP46A1, CYP11B1, ALOX12 NOS2 534/4885KEAP1 170/4885CYP3A4 105/4885
US-20200129530-A1 C17-HETEROARYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF CYP46A1, CYP11B1, ALOX12 NOS2 534/4885KEAP1 170/4885CYP3A4 105/4885
US-20140088163-A1 C17-HETEROARYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF CYP46A1, CYP11B1, ALOX12 NOS2 534/4885KEAP1 170/4885CYP3A4 105/4885
US-10398711-B2 C17-heteroaryl derivatives of oleanolic acid and methods of use thereof CYP46A1, CYP11B1, ALOX12 NOS2 534/4885KEAP1 170/4885CYP3A4 105/4885
US-20210040142-A1 C17 POLAR-SUBSTITUTED HETEROAROMATIC SYNTHETIC TRITERPENOIDS AND METHODS OF USE THEREOF CYP11B1, CYP11B2, RORC NOS2 1277/4885KEAP1 172/4885CYP3A4 133/4885

“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.