SCHEMBL3051883

SCHEMBL3051883

COC(=O)/C=C(\OC)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 2/20 0.30
TET2 Q6N021 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL3051884 1.00 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL29367967 1.00 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL16683369 0.80 NPSR1 (0.45) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL669238 0.80 HCAR2 (0.37) HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL6442161 0.76 HCAR2 (0.48) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL10885715 0.75 ALDH1A1 (0.50) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL10889601 0.75 ALDH1A1 (0.44) HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL10885717 0.75 ALDH1A1 (0.50) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL10889611 0.75 ALDH1A1 (0.44) HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL16684429 0.75 HTT (0.39) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107635995-B Bicyclic compounds as ATX inhibitors 豪夫迈·罗氏有限公司 2022-08-19 CN disclosed
EP-3353180-B1 BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN LA ROCHE (CH) 2022-03-16 EP disclosed
EP-3353181-B1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-11 EP disclosed
US-10889588-B2 Bicyclic compounds as dual ATX/CA inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-01-12 US disclosed
US-10787459-B2 Bicyclic compounds as ATX inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-09-29 US disclosed
US-20200291038-A1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-17 US disclosed
US-10738053-B2 Bicyclic compounds as dual ATX/CA inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-08-11 US disclosed
US-20200079779-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-03-12 US disclosed
EP-3473098-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Gorbunov, Sergei Valeryevich (RU) 2019-04-24 EP disclosed
EP-3353181-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-08-01 EP disclosed
US-9663472-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-05-30 US disclosed
WO-2017050747-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-03-30 WO disclosed
WO-2017050732-A1 BICYCLIC COMPOUNDS AS ATX INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-03-30 WO disclosed
US-9102877-B2 Systems and methods for producing fuels from biomass SARTEC CORPORATION (US) 2015-08-11 US disclosed
US-20140315971-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2014-10-23 US disclosed
US-8809383-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-08-19 US disclosed
US-20140031406-A1 PYRAZOLE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-01-30 US disclosed
US-8569353-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-10-29 US disclosed
US-20130116296-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2013-05-09 US disclosed
US-20100170147-A1 SYSTEMS AND METHODS FOR PRODUCING FUELS FROM BIOMASS SARTEC CORPORATION 2010-07-08 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 (8 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-20140315971-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HCAR2 222/4885KEAP1 2414/4885NFE2L2 1541/4885
US-20200079779-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS ATXN2, ATXN10, ATXN2L HCAR2 4359/4885KEAP1 421/4885NFE2L2 4543/4885
US-10787459-B2 Bicyclic compounds as ATX inhibitors ATXN2, ATXN10, ATXN2L HCAR2 4281/4885KEAP1 167/4885NFE2L2 4431/4885
US-20130116296-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HCAR2 222/4885KEAP1 2414/4885NFE2L2 1541/4885
US-20200291038-A1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS ATXN2, ATXN2L, ATXN10 HCAR2 3706/4885KEAP1 702/4885NFE2L2 4264/4885
US-10738053-B2 Bicyclic compounds as dual ATX/CA inhibitors ATXN2, ATXN2L, ATXN10 HCAR2 3706/4885KEAP1 702/4885NFE2L2 4264/4885
US-10889588-B2 Bicyclic compounds as dual ATX/CA inhibitors ATXN2, ATXN2L, ATXN10 HCAR2 3706/4885KEAP1 702/4885NFE2L2 4264/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HCAR2 222/4885KEAP1 2414/4885NFE2L2 1541/4885

“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.