SCHEMBL1402849

SCHEMBL1402849

COC(=O)c1ccc(-n2ncc(C(=O)OC(C)(C)C)c2SC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
HSD11B1 P28845 1/20 0.46
MAPT P10636 6/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
NPBWR1 P48145 1/20 0.42
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMO Q99835 1/20 0.40
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
KDM4A O75164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL1403181 0.87 HSD11B1 (0.48) ALDH1A1HTTHPGDHSD11B1MAPT
SCHEMBL1403107 0.85 HSD11B1 (0.51) ALDH1A1HTTHPGDHSD11B1MAPT
SCHEMBL1402994 0.85 HSD11B1 (0.55) ALDH1A1HTTHPGDHSD11B1MAPT
SCHEMBL1403077 0.85 HSD11B1 (0.52) ALDH1A1HTTHPGDHSD11B1MAPT
SCHEMBL1402579 0.84 MAPT (0.52) ALDH1A1HTTHPGDMAPTTP53
SCHEMBL1403012 0.84 HSD11B1 (0.53) ALDH1A1HPGDHSD11B1MAPTTP53
SCHEMBL1402881 0.83 ALDH1A1 (0.60) ALDH1A1HPGDMAPTTP53THRB
SCHEMBL1403088 0.75 HSD11B1 (0.81) HSD11B1
SCHEMBL1403092 0.72 HSD11B1 (0.57) ALDH1A1HTTHPGDHSD11B1MAPT
SCHEMBL1403072 0.72 HSD11B1 (0.44) ALDH1A1HPGDHSD11B1TP53SMN1; SMN2

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 19 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
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 ALDH1A1 86/4885HTT 2490/4885HPGD 55/4885
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HSD11B1, HSD3B1, HSD11B2 ALDH1A1 86/4885HTT 2490/4885HPGD 55/4885

“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.