SCHEMBL1403045

SCHEMBL1403045

O=C(O)c1cnn(-c2ccc(Br)cc2)c1C1CC1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 13/20 0.76
KEAP1 Q14145 12/20 0.76
SLC9A1 P19634 1/20 0.54
SLC9A2 Q9UBY0 1/20 0.54
HSD11B1 P28845 3/20 0.54
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PPARA Q07869 1/20 0.46
SPR P35270 1/20 0.46

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
SCHEMBL3494329 0.87 NFE2L2 (1.00) NFE2L2KEAP1SLC9A1SLC9A2HSD11B1
SCHEMBL8341095 0.86 KEAP1 (0.76) NFE2L2KEAP1SLC9A1SLC9A2HSD11B1
SCHEMBL1403058 0.81 ALDH1A1 (0.60) NFE2L2KEAP1SLC9A1SLC9A2MEN1
SCHEMBL1402795 0.81 LMNA (0.59) NFE2L2KEAP1HSD11B1MEN1KMT2A
SCHEMBL15779118 0.81 KEAP1 (0.68) NFE2L2KEAP1SLC9A1SLC9A2HSD11B1
SCHEMBL3491956 0.80 KEAP1 (0.86) NFE2L2KEAP1SLC9A1SLC9A2HSD11B1
SCHEMBL1403611 0.79 HSD11B1 (0.78) NFE2L2KEAP1HSD11B1
SCHEMBL6320775 0.79 NFE2L2 (0.73) NFE2L2KEAP1SLC9A1SLC9A2HSD11B1
SCHEMBL1403497 0.78 HSD11B1 (0.53) NFE2L2KEAP1SLC9A1SLC9A2HSD11B1
SCHEMBL1403070 0.78 HSD11B1 (0.54) NFE2L2KEAP1SLC9A1SLC9A2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344016-B2 Pyrazole derivatives as 11-beta-HSD1 inhibitors ASTRAZENECA AB (SE) 2013-01-01 US disclosed
US-8344016-B2 Pyrazole derivatives as 11-beta-HSD1 inhibitors ASTRAZENECA AB (SE) 2013-01-01 US disclosed
US-8344016-B2 Pyrazole derivatives as 11-beta-HSD1 inhibitors ASTRAZENECA AB (SE) 2013-01-01 US disclosed
CN-101668524-B Pyrazole derivatives as 11-beta-HSD 1 inhibitors ASTRAZENECA AB 2012-10-24 CN disclosed
CN-102503891-A Pyrazole derivatives as 11-beta-hsd1 inhibitors ASTRAZENECA AB 2012-06-20 CN disclosed
US-20110224273-A1 Pyrazole Derivatives as 11-Beta-HSD1 Inhibitors ASTRAZENECA AB (SE) 2011-09-15 US disclosed
US-20110224273-A1 Pyrazole Derivatives as 11-Beta-HSD1 Inhibitors ASTRAZENECA AB (SE) 2011-09-15 US disclosed
US-20110224273-A1 Pyrazole Derivatives as 11-Beta-HSD1 Inhibitors ASTRAZENECA AB (SE) 2011-09-15 US disclosed
EP-2292228-A1 Pyrazole derivatives as 11-beta-HSD1 inhibitors AstraZeneca AB (Publ) (SE) 2011-03-09 EP disclosed
EP-2292228-A1 Pyrazole derivatives as 11-beta-HSD1 inhibitors AstraZeneca AB (Publ) (SE) 2011-03-09 EP disclosed
US-7816391-B2 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid; hydroxysteroid reductase inhibitors; hydrolysis; metabolic syndromes ASTRAZENECA AB (SE) 2010-10-19 US disclosed
US-7816391-B2 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid; hydroxysteroid reductase inhibitors; hydrolysis; metabolic syndromes ASTRAZENECA AB (SE) 2010-10-19 US disclosed
US-7816391-B2 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid; hydroxysteroid reductase inhibitors; hydrolysis; metabolic syndromes ASTRAZENECA AB (SE) 2010-10-19 US disclosed
CN-101668524-A Pyrazole derivatives as 11-beta-HSD 1 inhibitors ASTRAZENECA AB 2010-03-10 CN disclosed
EP-2124937-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2009-09-03 US disclosed
WO-2008099145-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-08-21 WO disclosed
WO-2008099145-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-08-21 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-20110224273-A1 Pyrazole Derivatives as 11-Beta-HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 NFE2L2 2056/4885KEAP1 1372/4885SLC9A1 593/4885
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HSD11B1, HSD3B1, HSD11B2 NFE2L2 2056/4885KEAP1 1372/4885SLC9A1 593/4885

“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.