SCHEMBL10175977

SCHEMBL10175977

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.62
KEAP1 Q14145 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
MBOAT4 Q96T53 4/20 0.59
NFE2L2 Q16236 4/20 0.59
USP7 Q93009 2/20 0.59
STAT3 P40763 2/20 0.59
USP2 O75604 1/20 0.59
CCR6 P51684 1/20 0.54
RORC P51449 1/20 0.53

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
SCHEMBL84160 0.92 NOS2 (0.63) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL12447479 0.92 CYP3A4 (0.73) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL82937 0.92 CYP3A4 (0.73) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL82945 0.92 NOS2 (0.73) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL13393866 0.92 CYP3A4 (0.73) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL12136833 0.92 NOS2 (0.73) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL82953 0.91 NOS2 (0.62) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL10175989 0.90 NOS2 (0.60) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL12200341 0.90 NFE2L2 (0.74) NOS2KEAP1CYP3A4CYP2C9CYP2C19
SCHEMBL12447445 0.90 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249089-B2 Antioxidant inflammation modulators: C-17 homologated oleanolic acid derivatives REATA PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-9090574-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with saturation in the C-ring REATA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-RE45325-E1 Antioxidant inflammation modulators: oleanolic acid derivatives with saturation in the C-ring REATA PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-RE45288-E1 Antioxidant inflammation modulators: oleanolic acid derivatives with saturation in the C-ring REATA PHARMACEUTICALS, INC. (US) 2014-12-09 US disclosed
US-20140179928-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING REATA PHARMACEUTICALS, INC. (US) 2014-06-26 US disclosed
US-20140066408-A1 ANTIOXIDANT INFLAMMATION MODULATORS: C-17 HOMOLOGATED OLEANOLIC ACID DERIVATIVES REATA PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-8440820-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with saturation in the C-ring REATA PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-8394967-B2 Antioxidant inflammation modulators: C-17 homologated oleanolic acid derivatives REATA PHARMACEUTICALS, INC. (US) 2013-03-12 US disclosed
US-8338618-B2 Antioxidant inflammation modulators: novel derivatives of oleanolic acid REATA PHARMACEUTICALS, INC. (US) 2012-12-25 US disclosed
US-20120245374-A1 Antioxidant Inflammation Modulators: Oleanolic Acid Derivatives with Saturation in the C-Ring REATA PHARMACEUTICALS, INC. (US) 2012-09-27 US disclosed
US-20120238767-A1 ANTIOXIDANT INFLAMMATION MODULATORS: NOVEL DERIVATIVES OF OLEANOLIC ACID REATA PHARMACEUTICALS, INC. 2012-09-20 US disclosed
US-8124656-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with saturation in the C-ring REATA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-8071632-B2 Antioxidant inflammation modulators: novel derivatives of oleanolic acid REATA PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20110245206-A1 ANTIOXIDANT INFLAMMATION MODULATORS: C-17 HOMOLOGATED OLEANOLIC ACID DERIVATIVES REATA PHARMACEUTICALS, INC. 2011-10-06 US disclosed
US-20110245233-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING REATA PHARMACEUTICALS, INC. 2011-10-06 US disclosed
US-7943778-B2 Antioxidant inflammation modulators: C-17 homologated oleanolic acid derivatives REATA PHARMACEUTICALS, INC. (US) 2011-05-17 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-20100056777-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING REATA PHARMACEUTICALS, INC. 2010-03-04 US disclosed
US-20100048911-A1 ANTIOXIDANT INFLAMMATION MODULATORS: NOVEL DERIVATIVES OF OLEANOLIC ACID REATA PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-20100041904-A1 ANTIOXIDANT INFLAMMATION MODULATORS: C-17 HOMOLOGATED OLEANOLIC ACID DERIVATIVES REATA PHARMACEUTICALS, INC. 2010-02-18 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 (9 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-20140066408-A1 ANTIOXIDANT INFLAMMATION MODULATORS: C-17 HOMOLOGATED OLEANOLIC ACID DERIVATIVES IL17A, ALOX15, ALOX12 NOS2 65/4885KEAP1 45/4885CYP3A4 590/4885
US-20120238767-A1 ANTIOXIDANT INFLAMMATION MODULATORS: NOVEL DERIVATIVES OF OLEANOLIC ACID ALOX12, NFE2L2, HMOX1 NOS2 66/4885KEAP1 29/4885CYP3A4 1940/4885
US-20120245374-A1 Antioxidant Inflammation Modulators: Oleanolic Acid Derivatives with Saturation in the C-Ring HMOX1, ALOX12, ALOX15 NOS2 25/4885KEAP1 56/4885CYP3A4 483/4885
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-20100041904-A1 ANTIOXIDANT INFLAMMATION MODULATORS: C-17 HOMOLOGATED OLEANOLIC ACID DERIVATIVES IL17A, ALOX15, ALOX12 NOS2 65/4885KEAP1 45/4885CYP3A4 590/4885
US-20140179928-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-20110245233-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING HMOX1, ALOX12, ALOX15 NOS2 25/4885KEAP1 56/4885CYP3A4 483/4885
US-20110245206-A1 ANTIOXIDANT INFLAMMATION MODULATORS: C-17 HOMOLOGATED OLEANOLIC ACID DERIVATIVES IL17A, ALOX15, ALOX12 NOS2 65/4885KEAP1 45/4885CYP3A4 590/4885

“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.