SCHEMBL9845673

SCHEMBL9845673

COC(=O)/C=C/S(=O)(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
MAPT P10636 4/20 0.65
NPSR1 Q6W5P4 3/20 0.65
HTT P42858 3/20 0.65
LMNA P02545 3/20 0.65
TP53 P04637 2/20 0.65
MAPK1 P28482 2/20 0.65
TSHR P16473 2/20 0.65
RAB9A P51151 1/20 0.65
GFER P55789 1/20 0.65
KMT2A Q03164 1/20 0.65
TLR9 Q9NR96 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
XBP1 P17861 1/20 0.48
AGTR1 P30556 1/20 0.48
EGFR P00533 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42

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
SCHEMBL28980625 1.00 ALDH1A1 (0.65) ALDH1A1MAPTNPSR1HTTLMNA
SCHEMBL20733397 1.00 ALDH1A1 (0.65) ALDH1A1MAPTNPSR1HTTLMNA
SCHEMBL19195144 0.84 ALDH1A1 (0.68) ALDH1A1MAPTNPSR1HTTLMNA
SCHEMBL17652439 0.84 ALDH1A1 (0.68) ALDH1A1MAPTNPSR1HTTLMNA
SCHEMBL17652438 0.84 ALDH1A1 (0.68) ALDH1A1MAPTNPSR1HTTLMNA
SCHEMBL19201600 0.83 ALDH1A1 (0.66) ALDH1A1MAPTNPSR1HTTLMNA
SCHEMBL22683206 0.83 ALDH1A1 (0.66) ALDH1A1MAPTNPSR1HTTLMNA
SCHEMBL19201601 0.83 LMNA (0.66) ALDH1A1MAPTNPSR1HTTLMNA
SCHEMBL19209521 0.81 MAPT (0.66) ALDH1A1MAPTNPSR1HTTLMNA
SCHEMBL9542426 0.81 MAPT (0.66) ALDH1A1MAPTNPSR1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114617868-A NRF2 activating compounds and uses thereof 参宿七制药股份有限公司 2022-06-14 CN claimed
CN-115925544-B Method for ring-opening acrylation of tertiary alcohol through iron catalytic oxidation 南京师范大学 2025-01-14 CN disclosed
CN-115925544-A Method for ring-opening acrylic esterification of cyclotertiary alcohol by iron catalytic oxidation 南京师范大学 2023-04-07 CN disclosed
CN-114617868-A NRF2 activating compounds and uses thereof 参宿七制药股份有限公司 2022-06-14 CN disclosed
CN-108699011-B NRF2 activating compounds and uses thereof 参宿七制药股份有限公司 2022-05-06 CN disclosed
EP-3411361-B1 NRF2 ACTIVATING COMPOUNDS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2020-11-25 EP disclosed
EP-3411361-B1 NRF2 ACTIVATING COMPOUNDS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2020-11-25 EP disclosed
US-10844040-B2 Nrf2 activating compounds and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2020-11-24 US disclosed
US-20200216412-A1 Nrf2 Activating Compounds and Uses Thereof MIDCAP FINANCIAL TRUST 2020-07-09 US disclosed
EP-3411361-A1 NRF2 ACTIVATING COMPOUNDS AND USES THEREOF Rigel Pharmaceuticals, Inc. (US) 2018-12-12 EP disclosed
US-9845307-B2 Nrf2 activating compounds and uses thereof MIDCAP FINANCIAL TRUST 2017-12-19 US disclosed
US-9845307-B2 Nrf2 activating compounds and uses thereof MIDCAP FINANCIAL TRUST 2017-12-19 US disclosed
WO-2017136589-A1 NRF2 ACTIVATING COMPOUNDS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2017-08-10 WO disclosed
WO-2017136589-A1 NRF2 ACTIVATING COMPOUNDS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2017-08-10 WO disclosed
US-20170217922-A1 Nrf2 Activating Compounds and Uses Thereof MIDCAP FINANCIAL TRUST 2017-08-03 US disclosed
US-20170217922-A1 Nrf2 Activating Compounds and Uses Thereof MIDCAP FINANCIAL TRUST 2017-08-03 US disclosed
EP-0408108-A2 Pharmaceutical compositions containing acrylic acid derivatives and their use in the medicine RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-01-16 EP 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 (3 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-20170217922-A1 Nrf2 Activating Compounds and Uses Thereof NFE2L2, KEAP1, NQO1 ALDH1A1 1408/4885MAPT 2271/4885NPSR1 3266/4885
US-10844040-B2 Nrf2 activating compounds and uses thereof NFE2L2, KEAP1, NQO1 ALDH1A1 1408/4885MAPT 2271/4885NPSR1 3266/4885
US-20200216412-A1 Nrf2 Activating Compounds and Uses Thereof NFE2L2, KEAP1, NQO1 ALDH1A1 1408/4885MAPT 2271/4885NPSR1 3266/4885

“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.