SCHEMBL83560

SCHEMBL83560

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

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 4/20 0.75
NOS2 P35228 9/20 0.58
KEAP1 Q14145 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NFE2L2 Q16236 3/20 0.58
USP7 Q93009 2/20 0.58
USP2 O75604 1/20 0.58
STAT3 P40763 1/20 0.58
RORC P51449 1/20 0.51
CCR6 P51684 1/20 0.51
NR4A1 P22736 1/20 0.31

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
SCHEMBL12447445 0.91 MBOAT4 (0.62) MBOAT4NOS2KEAP1CYP3A4CYP2C9
SCHEMBL83431 0.91 MBOAT4 (0.62) MBOAT4NOS2KEAP1CYP3A4CYP2C9
SCHEMBL83432 0.91 MBOAT4 (0.76) MBOAT4NOS2KEAP1CYP3A4CYP2C9
SCHEMBL12447444 0.89 NFE2L2 (0.62) MBOAT4NOS2KEAP1CYP3A4CYP2C9
SCHEMBL82945 0.88 NOS2 (0.73) MBOAT4NOS2KEAP1CYP3A4CYP2C9
SCHEMBL12447479 0.88 CYP3A4 (0.73) MBOAT4NOS2KEAP1CYP3A4CYP2C9
SCHEMBL13393866 0.88 CYP3A4 (0.73) MBOAT4NOS2KEAP1CYP3A4CYP2C9
SCHEMBL82937 0.88 CYP3A4 (0.73) MBOAT4NOS2KEAP1CYP3A4CYP2C9
SCHEMBL12136833 0.88 NOS2 (0.73) MBOAT4NOS2KEAP1CYP3A4CYP2C9
SCHEMBL12200189 0.88 MBOAT4 (0.59) MBOAT4NOS2KEAP1CYP3A4CYP2C9

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11911395-B2 Methods of treating obesity using antioxidant inflammation modulators Reata Pharmaceuticals Holdings, LLC (US) 2024-02-27 US disclosed
US-20230285500-A1 Compositions and Methods for Gene Therapy for Corneal Endothelium Disorders THE SCHEPENS EYE RESEARCH INSTITUTE, INC. 2023-09-14 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-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-20160175380-A1 Compositions and Methods of Treatment of Corneal Endothelium Disorders NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-06-23 US disclosed
US-20150080465-A1 METHODS OF TREATING AND PREVENTING ENDOTHELIAL DYSFUNCTION USING BARDOXOLONE METHYL OR ANALOGS THEREOF REATA PHARMACEUTICALS, INC. (US) 2015-03-19 US disclosed
US-20140328809-A1 METHODS OF INDUCING CHONDROGENESIS IN MESENCHYMAL STEM CELLS USING SYNTHETIC TRITERPENOIDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2014-11-06 US disclosed
US-8778990-B2 Betulinic acid derivatives and methods of use thereof TRUSTEES OF DARTMOUTH COLLEGE (US) 2014-07-15 US disclosed
US-20130288985-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CORNEAL ENDOTHELIUM DISORDERS THE SCHEPENS EYE RESEARCH INSTITUTE INC. (US) 2013-10-31 US disclosed
US-8455544-B2 Synthetic triterpenoids and methods of use in the treatment of disease Reata Pharmaecuticals, Inc. (US) 2013-06-04 US disclosed
US-20120220652-A1 Synthetic Triterpenoids and Methods of Use in the Treatment of Disease REATA PHARMACEUTICALS, INC. 2012-08-30 US disclosed
US-20120101149-A1 Betulinic Acid Derivatives and Methods of Use Thereof REATA PHARMACEUTICALS, INC. 2012-04-26 US 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-20110281955-A1 METHODS OF TREATING OBESITY USING ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS (US) 2011-11-17 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

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

For each of this compound's patents that has machine-readable text (13 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-20160175380-A1 Compositions and Methods of Treatment of Corneal Endothelium Disorders FECH, KEAP1, NFE2L2 MBOAT4 4178/4885NOS2 366/4885KEAP1 2/4885
US-20130288985-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CORNEAL ENDOTHELIUM DISORDERS FECH, KEAP1, NFE2L2 MBOAT4 4178/4885NOS2 366/4885KEAP1 2/4885
US-20170333450-A1 COMPOSITIONS AND METHODS FOR TREATING HIV-ASSOCIATED COGNITIVE DYSFUNCTION CD14, CCL2, CCR5 MBOAT4 3418/4885NOS2 14/4885KEAP1 107/4885
US-11911395-B2 Methods of treating obesity using antioxidant inflammation modulators TXNRD2, HMOX1, GPX4 MBOAT4 92/4885NOS2 83/4885KEAP1 60/4885
US-20090326063-A1 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE LIPG, CYP27A1, CYP11B1 MBOAT4 1458/4885NOS2 378/4885KEAP1 444/4885
US-20180161311-A1 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE LIPG, CYP27A1, CYP11B1 MBOAT4 1458/4885NOS2 378/4885KEAP1 444/4885
US-20090048205-A1 COMBINATION THERAPY WITH SYNTHETIC TRITERPENOIDS AND GEMCITABINE RABGGTB, BAD, PGGT1B MBOAT4 1132/4885NOS2 3154/4885KEAP1 1567/4885
US-20120220652-A1 Synthetic Triterpenoids and Methods of Use in the Treatment of Disease LIPG, CYP27A1, CYP11B1 MBOAT4 1458/4885NOS2 378/4885KEAP1 444/4885
US-20140328809-A1 METHODS OF INDUCING CHONDROGENESIS IN MESENCHYMAL STEM CELLS USING SYNTHETIC TRITERPENOIDS BMP2, BMP4, EBP MBOAT4 2120/4885NOS2 876/4885KEAP1 702/4885
US-20110281955-A1 METHODS OF TREATING OBESITY USING ANTIOXIDANT INFLAMMATION MODULATORS TXNRD2, HMOX1, GPX4 MBOAT4 92/4885NOS2 83/4885KEAP1 60/4885
US-20120101149-A1 Betulinic Acid Derivatives and Methods of Use Thereof BET1, PGGT1B, CYP3A5 MBOAT4 3063/4885NOS2 1733/4885KEAP1 307/4885
US-20150080465-A1 METHODS OF TREATING AND PREVENTING ENDOTHELIAL DYSFUNCTION USING BARDOXOLONE METHYL OR ANALOGS THEREOF EDNRA, EDNRB, CYP11B1 MBOAT4 1348/4885NOS2 40/4885KEAP1 53/4885
US-20230285500-A1 Compositions and Methods for Gene Therapy for Corneal Endothelium Disorders KEAP1, NFE2L2, TFAM MBOAT4 3834/4885NOS2 540/4885KEAP1 1/4885

“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.