SCHEMBL20269597

SCHEMBL20269597

CCOC(=O)c1cc(Br)sc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 1/20 0.48
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
ALDH1A1 P00352 7/20 0.44
MAPT P10636 6/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
KMT2A Q03164 4/20 0.43
HSD17B10 Q99714 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
ALOX15 P16050 2/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL3100139 0.86 GAA (0.49) GAAMAPK1TSHRCA12CA1
SCHEMBL3109923 0.83 GAA (0.50) GAAMAPK1TSHRCA12CA1
SCHEMBL168008 0.81 MAPT (0.40) GAAMAPK1TSHRCA12CA1
SCHEMBL16863717 0.80 GAA (0.50) GAAMAPK1TSHRCA12CA1
SCHEMBL3094886 0.79 GAA (0.43) GAAMAPK1TSHRCA12CA1
SCHEMBL20723582 0.79 KDM4E (0.48) GAAMAPK1TSHRALDH1A1MAPT
SCHEMBL168837 0.79 GAA (0.71) GAAMAPK1TSHRALDH1A1MAPT
SCHEMBL8630776 0.79 GAA (0.49) GAAMAPK1TSHRCA12CA1
SCHEMBL29359967 0.79 GAA (0.49) GAAMAPK1TSHRCA12CA1
SCHEMBL23413574 0.78 GAA (0.54) GAATSHRALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555078-B1 BISARYL HETEROCYCLES AS NRF2 ACTIVATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-03-27 EP disclosed
CN-111356695-B Novel tricyclic compounds 北京加科思新药研发有限公司 2022-12-30 CN disclosed
US-11117905-B2 Bisaryl heterocycles as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-09-14 US disclosed
US-11117905-B2 Bisaryl heterocycles as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-09-14 US disclosed
CN-111356695-A Novel tricyclic compounds 北京加科思图新药研发有限公司 2020-06-30 CN disclosed
US-20200062781-A1 BISARYL HETEROCYCLES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2020-02-27 US disclosed
US-20200062781-A1 BISARYL HETEROCYCLES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2020-02-27 US disclosed
EP-3555078-A1 BISARYL HETEROCYCLES AS NRF2 ACTI GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-23 EP disclosed
WO-2018109643-A1 BISARYL HETEROCYCLES AS NRF2 ACTI GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 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 (2 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-20200062781-A1 BISARYL HETEROCYCLES AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 GAA 1856/4885MAPK1 2708/4885TSHR 3801/4885
US-11117905-B2 Bisaryl heterocycles as NRF2 activators NFE2L2, KEAP1, NQO1 GAA 1856/4885MAPK1 2708/4885TSHR 3801/4885

“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.