SCHEMBL863820

SCHEMBL863820

Fc1cc(F)cc(COc2cc[c]cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.49
BACE1 P56817 2/20 0.49
IDO1 P14902 2/20 0.45
MAOB P27338 11/20 0.45
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP14 P50281 1/20 0.43
ADAM17 P78536 1/20 0.43
ACHE P22303 1/20 0.42
APP P05067 1/20 0.42
NR4A2 P43354 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
SCHEMBL17514987 0.88 GSK3B (0.40) GSK3BBACE1MAOBAPPNR4A2
SCHEMBL863891 0.84 MAOB (0.66) IDO1MAOBNR4A2
SCHEMBL697362 0.82 MAOB (0.61) IDO1MAOBAPPNR4A2
SCHEMBL863543 0.81 MAOB (0.40) MAOBAPPNR4A2
SCHEMBL920432 0.80 ACHE (0.43) GSK3BBACE1IDO1MAOBMMP2
SCHEMBL3208555 0.79 MAOB (0.36) GSK3BBACE1MAOBMMP2MMP9
SCHEMBL921602 0.79 MAOB (0.43) GSK3BBACE1IDO1MAOBACHE
SCHEMBL7021392 0.78 GSK3B (0.58) GSK3BBACE1IDO1MAOBMMP2
SCHEMBL3228557 0.78 MAOB (0.56) MAOBACHEAPP
SCHEMBL7253638 0.77 IDO1 (0.45) IDO1MAOBAPPNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP claimed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US claimed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO claimed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 US claimed
WO-2016026830-A1 NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-02-25 WO disclosed
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP disclosed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US disclosed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO disclosed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20030203908-A1 Dihydrofolate reductase inhibitors ISIS INNOVATION LIMITED (GB) 2003-10-30 US disclosed
WO-2001053276-A1 DIHYDROFOLATE REDUCTASE INHIBITORS ISIS INNOVATION LIMITED (GB) 2001-07-26 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 (4 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 GSK3B 2259/4885BACE1 4368/4885IDO1 675/4885
US-20030203908-A1 Dihydrofolate reductase inhibitors DHFR, CBR1, GRHPR GSK3B 3982/4885BACE1 3713/4885IDO1 509/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 GSK3B 3464/4885BACE1 2344/4885IDO1 236/4885
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS LIPG, LIPA, LIPE GSK3B 418/4885BACE1 775/4885IDO1 1973/4885

“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.