SCHEMBL6608329

SCHEMBL6608329

CC(C)(C)OC(=O)[N+]1([O])CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.32
DGAT1 O75907 1/20 0.31
GAA P10253 1/20 0.31
EPHX1 P07099 2/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL2064367 0.80 HPGD (0.33) HPGDDGAT1GAAEPHX1CTSK
SCHEMBL5568399 0.78 HPGD (0.32) HPGDDGAT1GAAEPHX1CTSK
SCHEMBL136090 0.77 HPGD (0.31) HPGDDGAT1GAA
SCHEMBL5421441 0.77 HPGD (0.31) HPGDDGAT1GAA
SCHEMBL14896297 0.76 DGAT1 (0.32) DGAT1CTSK
SCHEMBL4011681 0.75 HPGD (0.30) HPGD
SCHEMBL2785917 0.74 DGAT1 (0.31) DGAT1CTSK
SCHEMBL5881754 0.74 CTSK (0.31) CTSK
SCHEMBL1296518 0.74 HPGD (0.33) HPGDEPHX1CTSK
SCHEMBL2877401 0.74 DGAT1 (0.36) DGAT1GAAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260227-A1 C17-ALKANEDIYL AND ALKENEDIYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF REATA PHARMACEUTICALS, INC. (US) 2017-09-14 US claimed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed
EP-2892912-B1 C17-ALKANEDIYL AND ALKENEDIYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF REATA PHARMACEUTICALS INC (US) 2019-04-24 EP disclosed
US-20170260227-A1 C17-ALKANEDIYL AND ALKENEDIYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF REATA PHARMACEUTICALS, INC. (US) 2017-09-14 US disclosed
US-9593074-B2 C17-alkanediyl and alkenediyl derivatives of oleanolic acid and methods of use thereof REATA PHARMACEUTICALS, INC. (US) 2017-03-14 US disclosed
EP-2892912-A1 C17-ALKANEDIYL AND ALKENEDIYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF Reata Pharmaceuticals, Inc. (US) 2015-07-15 EP disclosed
US-20140100227-A1 C17-ALKANEDIYL AND ALKENEDIYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF REATA PHARMACEUTICALS, INC. (US) 2014-04-10 US disclosed
WO-2014040060-A1 C17-ALKANEDIYL AND ALKENEDIYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF REATA PHARMACEUTICALS, INC. (US) 2014-03-13 WO disclosed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP disclosed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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 (2 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-20140100227-A1 C17-ALKANEDIYL AND ALKENEDIYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF ALOX12, ALOX15, ALOX15B HPGD 222/4885DGAT1 85/4885GAA 3594/4885
US-20170260227-A1 C17-ALKANEDIYL AND ALKENEDIYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF ALOX12, ALOX15, ALOX15B HPGD 222/4885DGAT1 85/4885GAA 3594/4885

“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.