SCHEMBL18322690

SCHEMBL18322690

CCOC(=O)CN(Cc1ccccc1N)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
PIN1 Q13526 1/20 0.35
ALOX5 P09917 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35

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
SCHEMBL3406057 0.87 HDAC3 (0.39) ALDH1A1HSD17B10KDM4EHDAC3HDAC1
SCHEMBL2325513 0.86 HPGD (0.36) ALDH1A1KDM4EMAPT
SCHEMBL8605151 0.84 HDAC3 (0.40) L3MBTL1KDM4EHDAC3HDAC1HDAC2
SCHEMBL1052780 0.83 HDAC3 (0.53) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HDAC3
SCHEMBL16269396 0.83 SLC6A2 (0.50) ALDH1A1L3MBTL1KDM4E
SCHEMBL18322761 0.81 SNCA (0.43) MAPT
SCHEMBL27829838 0.80 HDAC3 (0.37) ALDH1A1HSD17B10L3MBTL1KDM4EHDAC3
SCHEMBL10556095 0.79 ALDH1A1 (0.59) ALDH1A1HSD17B10SMN1; SMN2KDM4EMAPT
SCHEMBL18758783 0.78 CA12 (0.43) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HDAC1
SCHEMBL20558295 0.77 CYP4F2 (0.41) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782996-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-04-10 EP disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 US disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 US disclosed
CN-108112251-B NRF2 modulators 葛兰素史克知识产权发展有限公司 2021-03-05 CN disclosed
EP-3782996-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-02-24 EP disclosed
EP-3782996-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-02-24 EP disclosed
EP-3307739-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 EP disclosed
EP-3307739-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 EP disclosed
US-10604509-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-31 US disclosed
US-10604509-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-31 US disclosed
US-20200079759-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2020-03-12 US disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 US disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 US disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 US disclosed
CN-108112251-A NRF2 conditioning agents 葛兰素史克知识产权发展有限公司 2018-06-01 CN disclosed
EP-3307739-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-04-18 EP disclosed
WO-2016202253-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-22 WO disclosed
WO-2016202253-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-22 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 (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-20180179187-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 ALDH1A1 609/4885HSD17B10 668/4885L3MBTL1 2504/4885
US-10604509-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 ALDH1A1 609/4885HSD17B10 668/4885L3MBTL1 2504/4885
US-20230047296-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 ALDH1A1 621/4885HSD17B10 787/4885L3MBTL1 2959/4885
US-20200079759-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 ALDH1A1 621/4885HSD17B10 787/4885L3MBTL1 2959/4885

“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.