SCHEMBL1402579

SCHEMBL1402579

COC(=O)c1ccc(-n2ncc(C(=O)OC(C)(C)C)c2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52
NPBWR1 P48145 2/20 0.49
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMO Q99835 1/20 0.42
GPR35 Q9HC97 2/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL1402881 0.86 ALDH1A1 (0.60) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL1403039 0.84 TP53 (0.41) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL1402849 0.84 ALDH1A1 (0.48) MAPTTP53THRBNPBWR1ALDH1A1
SCHEMBL1403230 0.82 MAPT (0.42) MAPTTP53THRBNPBWR1ALDH1A1
SCHEMBL1403181 0.81 HSD11B1 (0.48) MAPTTP53THRBNPBWR1ALDH1A1
SCHEMBL1402982 0.80 GAA (0.49) MAPTTP53THRBALDH1A1TSHR
SCHEMBL1403107 0.79 HSD11B1 (0.51) MAPTTP53THRBNPBWR1ALDH1A1
SCHEMBL1403077 0.79 HSD11B1 (0.52) MAPTTP53THRBNPBWR1ALDH1A1
SCHEMBL1403012 0.78 HSD11B1 (0.53) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL1402764 0.76 HSD11B1 (0.54) MAPTTP53THRBALDH1A1SMN1; 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 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 MAPT 2884/4885TP53 3666/4885THRB 831/4885
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HSD11B1, HSD3B1, HSD11B2 MAPT 2884/4885TP53 3666/4885THRB 831/4885

“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.