SCHEMBL4039792

SCHEMBL4039792

Cc1c(N)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HSD17B2 P37059 2/20 0.38
MAPK14 Q16539 3/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
TRPV1 Q8NER1 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
SCHEMBL14297831 0.84 KEAP1 (0.50) KEAP1NFE2L2MAPK14ALDH1A1
SCHEMBL689712 0.80 MAPK14 (0.51) MAPK14
Hydrochloric Acid SCHEMBL1301953 0.78 MAPK14 (0.50) MAPK14
SCHEMBL13843668 0.78 L3MBTL1 (0.46) KEAP1NFE2L2MAPK14ALDH1A1TRPV1
SCHEMBL19047462 0.78 KEAP1 (0.37) KEAP1NFE2L2HSD17B2MAPK14ALDH1A1
SCHEMBL19047463 0.76 KEAP1 (0.36) KEAP1NFE2L2HSD17B2MAPK14ALDH1A1
SCHEMBL1936283 0.76 MAPK14 (0.41) HSD17B2MAPK14TRPV1
SCHEMBL689355 0.76 MAPK14 (0.41) HSD17B2MAPK14POLB
SCHEMBL19434662 0.76 MAPK14 (0.44) HSD17B2MAPK14
Sulfuric Acid SCHEMBL28012149 0.74 POLB (0.45) HSD17B2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394059-B1 1-(3-TERT-BUTYL-PHENYL)-3-(4-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YLOXY)-1,2,3,4-TETRAHYDRO- NAPHTHALEN-1-YL)-UREA DERIVATIVES AND THEIR USE AS P38 MAPK INHIBITORS CHIESI FARM SPA (IT) 2020-11-25 EP disclosed
EP-3394059-A1 1-(3-TERT-BUTYL-PHENYL)-3-(4-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YLOXY)-1,2,3,4-TETRAHYDRO- NAPHTHALEN-1-YL)-UREA DERIVATIVES AND THEIR USE AS P38 MAPK INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2018-10-31 EP disclosed
US-10100050-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2018-10-16 US disclosed
WO-2017108737-A1 1-(3-TERT-BUTYL-PHENYL)-3-(4-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YLOXY)-1,2,3,4-TETRAHYDRO- NAPHTHALEN-1-YL)-UREA DERIVATIVES AND THEIR USE AS P38 MAPK INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-29 WO disclosed
US-20170183345-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-29 US disclosed
EP-1725544-B1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-05-27 EP disclosed
US-7514458-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
US-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
EP-1887003-A1 3-[4-HETEROCYCLYL -1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2008-02-13 EP disclosed
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds COGAN DEREK 2007-06-21 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
EP-1725544-A1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-29 EP disclosed
US-20060079519-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-04-13 US disclosed
WO-2005090333-A1 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 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-20070142371-A1 Anti-Cytokine Heterocyclic Compounds TNF, IL6, IL1A KEAP1 645/4885NFE2L2 271/4885HSD17B2 470/4885
US-10100050-B2 Kinase inhibitors MAPK1, MAP3K1, MAP3K6 KEAP1 798/4885NFE2L2 629/4885HSD17B2 823/4885
US-20060079519-A1 Anti-cytokine heterocyclic compounds TNF, IL6, IL1A KEAP1 645/4885NFE2L2 271/4885HSD17B2 470/4885
US-20170183345-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K6 KEAP1 798/4885NFE2L2 629/4885HSD17B2 823/4885

“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.