SCHEMBL5511998

SCHEMBL5511998

O=S1(=O)NCCOc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 1.00
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
GRIA2 P42262 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
HTT P42858 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL29412497 1.00 KEAP1 (1.00) KEAP1ITGB2ICAM1ITGALGRIA2
SCHEMBL29295542 0.76 KEAP1 (0.61) KEAP1GRIA2PIK3C3CA12CA1
SCHEMBL20617339 0.76 KEAP1 (0.61) KEAP1GRIA2CA12CA1CA2
SCHEMBL9696686 0.76 KEAP1 (0.61) KEAP1PIK3C3CA12CA1CA2
SCHEMBL3993214 0.76 KEAP1 (0.61) KEAP1GRIA2LMNAHTTPIK3C3
SCHEMBL16852809 0.76 KEAP1 (0.61) KEAP1PIK3C3
SCHEMBL755596 0.76 KEAP1 (0.61) KEAP1LMNAHTTPIK3C3CA12
SCHEMBL1776074 0.76 KEAP1 (0.61) KEAP1GRIA2PIK3C3CA12CA1
SCHEMBL30016008 0.76 KEAP1 (0.61) KEAP1GRIA2LMNAHTTPIK3C3
SCHEMBL753235 0.76 KEAP1 (0.60) KEAP1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116669744-A Nrf2 activating compounds 千寿制药株式会社 2023-08-29 CN disclosed
US-11434472-B2 Agent for removing undifferentiated iPS cells Sumitomo Pharma Co., Ltd. (JP) 2022-09-06 US disclosed
US-11078216-B2 Bisaryl amides as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-03 US disclosed
US-11059816-B2 Ether linked triazoles as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-13 US disclosed
US-20200268728-A1 DRUG TARGETING CANCER STEM CELL SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-27 US disclosed
US-10703755-B2 Substituted purine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-07-07 US disclosed
US-20200071317-A1 ETHER LINKED TRIAZOLES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2020-03-05 US disclosed
US-20190330238-A1 BISARYL AMIDES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-10-31 US disclosed
US-20190169191-A1 SUBSTITUTED PURINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-06-06 US disclosed
US-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
EP-3083614-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-10-26 EP disclosed
US-20150218187-A1 SPIROCYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2015-08-06 US disclosed
WO-2015092713-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-06-25 WO disclosed
JP-2013537216-A 2013-09-30 JP disclosed
EP-1861376-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F. Hoffmann-Roche AG (CH) 2007-12-05 EP disclosed
WO-2006097261-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-21 WO disclosed
EP-1054877-A1 NOVEL CYCLIC SULFONAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-11-29 EP disclosed
WO-1999041246-A1 NOVEL CYCLIC SULFONAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-08-19 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 (11 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-11078216-B2 Bisaryl amides as NRF2 activators NFE2L2, KEAP1, NQO1 KEAP1 2/4885ITGB2 4340/4885ICAM1 4670/4885
US-20150218187-A1 SPIROCYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF DGAT1, DGAT2, CPT1A KEAP1 1100/4885ITGB2 3197/4885ICAM1 3058/4885
US-11059816-B2 Ether linked triazoles as NRF2 activators NFE2L2, KEAP1, NQO1 KEAP1 2/4885ITGB2 3785/4885ICAM1 4488/4885
US-20190330238-A1 BISARYL AMIDES AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 KEAP1 2/4885ITGB2 4340/4885ICAM1 4670/4885
US-20190002454-A1 NRF2 Regulators NFE2L2, KEAP1, NQO1 KEAP1 2/4885ITGB2 3682/4885ICAM1 4225/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 KEAP1 2/4885ITGB2 3682/4885ICAM1 4225/4885
US-11434472-B2 Agent for removing undifferentiated iPS cells SALL4, NR4A2, NES KEAP1 1057/4885ITGB2 1856/4885ICAM1 3954/4885
US-20200071317-A1 ETHER LINKED TRIAZOLES AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 KEAP1 2/4885ITGB2 3785/4885ICAM1 4488/4885
US-20200268728-A1 DRUG TARGETING CANCER STEM CELL NR5A1, NR3C1, NR3C2 KEAP1 357/4885ITGB2 3314/4885ICAM1 3809/4885
US-10703755-B2 Substituted purine derivative TLR7, TLR9, TLR1 KEAP1 3091/4885ITGB2 4565/4885ICAM1 4287/4885
US-20190169191-A1 SUBSTITUTED PURINE DERIVATIVE TLR7, TLR9, TLR1 KEAP1 3091/4885ITGB2 4565/4885ICAM1 4287/4885

“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.