SCHEMBL2394937

SCHEMBL2394937

COC(=O)c1cccc(CN(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.53
LOXL2 Q9Y4K0 1/20 0.49
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC7A5 Q01650 2/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
NR3C1 P04150 1/20 0.43
FOLH1 Q04609 1/20 0.41
CETP P11597 1/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1403248 0.90 AKT1 (0.53) AKT1CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL1402743 0.89 AKT1 (0.57) AKT1SLC7A5CTSLCTSBCTSS
SCHEMBL1402913 0.86 AKT1 (0.52) AKT1LOXL2CYP4F2CYP4A11KDM4E
SCHEMBL7385091 0.84 LOXL2 (0.55) LOXL2CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL6676802 0.83 AKT1 (0.55) AKT1SLC7A5CTSLCTSBCTSS
SCHEMBL1830055 0.83 LOXL2 (0.54) LOXL2CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL6681909 0.81 AKT1 (0.51) AKT1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL25382425 0.78 CYP4F2 (0.48) LOXL2CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL30563275 0.78 CYP4F2 (0.48) LOXL2CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL12393362 0.78 LOXL2 (0.48) LOXL2CYP4F2CYP4A11KDM4EALDH1A1

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 14 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
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
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
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

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 AKT1 2183/4885LOXL2 4425/4885CYP4F2 61/4885
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HSD11B1, HSD3B1, HSD11B2 AKT1 2183/4885LOXL2 4425/4885CYP4F2 61/4885

“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.