SCHEMBL91612

SCHEMBL91612

COC(=O)[C@H]1CCC(C)(C)CCC2C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.64
MBOAT4 Q96T53 4/20 0.59
USP7 Q93009 2/20 0.59
USP2 O75604 1/20 0.59
STAT3 P40763 1/20 0.59
NOS2 P35228 8/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
KEAP1 Q14145 2/20 0.55
CYP2C9 P11712 1/20 0.55
RORC P51449 1/20 0.51
CCR6 P51684 1/20 0.48

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
SCHEMBL91613 0.90 NOS2 (0.60) NFE2L2MBOAT4USP7USP2STAT3
SCHEMBL15499360 0.88 MBOAT4 (0.69) NFE2L2MBOAT4USP7USP2STAT3
SCHEMBL10212069 0.86 NFE2L2 (0.56) NFE2L2MBOAT4USP7USP2STAT3
SCHEMBL17378242 0.85 MBOAT4 (0.60) NFE2L2MBOAT4USP7USP2STAT3
SCHEMBL10212585 0.85 NFE2L2 (0.57) NFE2L2MBOAT4USP7USP2STAT3
SCHEMBL12227009 0.85 NOS2 (0.55) NFE2L2MBOAT4USP7USP2STAT3
SCHEMBL10079614 0.85 MBOAT4 (0.63) NFE2L2MBOAT4USP7USP2STAT3
SCHEMBL12650179 0.84 NOS2 (0.57) NFE2L2MBOAT4USP7USP2STAT3
SCHEMBL15629067 0.84 NOS2 (0.66) NFE2L2MBOAT4USP7USP2STAT3
SCHEMBL16215052 0.84 NOS2 (0.66) NFE2L2MBOAT4USP7USP2STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129429-B2 Synthetic triterpenoids and methods of use in the treatment of disease REATA PHARMACEUTICALS, INC. (US) 2012-03-06 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-20090326063-A1 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE REATA PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20090060873-A1 Novel synthetic triterpenoids and methods of use in the treatment and prevention of multiple scleroris REATA PHARMACEUTICALS, INC. (US) 2009-03-05 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 (4 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-20090326063-A1 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE LIPG, CYP27A1, CYP11B1 NFE2L2 315/4885MBOAT4 1458/4885USP7 4046/4885
US-20090060873-A1 Novel synthetic triterpenoids and methods of use in the treatment and prevention of multiple scleroris GAP43, BDNF, PMP22 NFE2L2 906/4885MBOAT4 3122/4885USP7 4521/4885
US-20100056777-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING HMOX1, ALOX12, ALOX15 NFE2L2 4/4885MBOAT4 650/4885USP7 1310/4885
US-20100048911-A1 ANTIOXIDANT INFLAMMATION MODULATORS: NOVEL DERIVATIVES OF OLEANOLIC ACID ALOX12, NFE2L2, HMOX1 NFE2L2 2/4885MBOAT4 658/4885USP7 2396/4885

“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.