SCHEMBL4368583

SCHEMBL4368583

CN(Nc1ccc(Cl)cc1Cl)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 3/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 4/20 0.40
HTT P42858 3/20 0.40
ATM Q13315 1/20 0.40
ALOX12 P18054 1/20 0.39
IDO1 P14902 2/20 0.39
FSCN1 Q16658 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
XBP1 P17861 1/20 0.38

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
SCHEMBL4364547 0.89 PDK1 (0.45) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL4367426 0.83 HSPA5 (0.35) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL6459759 0.82 MAPT (0.48) PDK1PDK2PDK3PDK4NPC1
SCHEMBL15135371 0.79 NPC1 (0.48) PDK1PDK2PDK3PDK4NPC1
SCHEMBL4367386 0.78 CLCN2 (0.36) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL4369229 0.77 MEN1 (0.48) PDK1PDK2PDK3PDK4LMNA
SCHEMBL6628806 0.76 PDK1 (0.56) PDK1PDK2PDK3PDK4NPC1
SCHEMBL4369647 0.75 MAPT (0.42) MAPTHTTSMN1; SMN2
SCHEMBL4367688 0.75 MEN1 (0.40) PDK1PDK2PDK3PDK4LMNA
SCHEMBL30291804 0.72 HDAC1 (0.43) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924563-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 HOFFMANN LA ROCHE (CH) 2013-07-31 EP disclosed
EP-1924563-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 HOFFMANN LA ROCHE (CH) 2013-07-31 EP disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
EP-1924563-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 US disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 US disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 US 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 (1 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-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase HSD17B1, HSD17B2, HSD3B2 PDK1 33/4885PDK2 32/4885PDK3 48/4885

“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.