SCHEMBL19201601

SCHEMBL19201601

COC(=O)/C=C/S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.66
ALDH1A1 P00352 3/20 0.66
HTT P42858 3/20 0.66
MAPK1 P28482 3/20 0.66
TP53 P04637 2/20 0.66
MAPT P10636 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
RAB9A P51151 2/20 0.66
TSHR P16473 1/20 0.66
GFER P55789 1/20 0.66
KMT2A Q03164 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.49
XBP1 P17861 1/20 0.49
AGTR1 P30556 1/20 0.49
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
CA2 P00918 5/20 0.42
CA1 P00915 4/20 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
SCHEMBL19195144 0.85 ALDH1A1 (0.68) LMNAALDH1A1HTTMAPK1TP53
SCHEMBL17652438 0.85 ALDH1A1 (0.68) LMNAALDH1A1HTTMAPK1TP53
SCHEMBL17652439 0.85 ALDH1A1 (0.68) LMNAALDH1A1HTTMAPK1TP53
SCHEMBL22683206 0.83 ALDH1A1 (0.66) LMNAALDH1A1HTTMAPK1TP53
SCHEMBL19201600 0.83 ALDH1A1 (0.66) LMNAALDH1A1HTTMAPK1TP53
SCHEMBL28980625 0.83 ALDH1A1 (0.65) LMNAALDH1A1HTTMAPK1TP53
SCHEMBL20733397 0.83 ALDH1A1 (0.65) LMNAALDH1A1HTTMAPK1TP53
SCHEMBL9845673 0.83 ALDH1A1 (0.65) LMNAALDH1A1HTTMAPK1TP53
SCHEMBL19201599 0.83 MAPT (0.67) LMNAALDH1A1HTTMAPK1TP53
SCHEMBL12793407 0.80 LMNA (1.00) LMNAALDH1A1HTTMAPK1TP53

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 12 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
EP-3411361-A1 NRF2 ACTIVATING COMPOUNDS AND USES THEREOF Rigel Pharmaceuticals, Inc. (US) 2018-12-12 EP claimed
WO-2017136589-A1 NRF2 ACTIVATING COMPOUNDS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2017-08-10 WO claimed
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 LMNA 2725/4885ALDH1A1 1408/4885HTT 1861/4885

“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.