SCHEMBL921695

SCHEMBL921695

N#Cc1cccc(Oc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 4/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
VEGFA P15692 1/20 0.45
PGR P06401 1/20 0.44
AR P10275 4/20 0.43
GPR119 Q8TDV5 1/20 0.41
CETP P11597 1/20 0.41
CYP19A1 P11511 1/20 0.41
TRPA1 O75762 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
GRM5 P41594 1/20 0.40
ABL1 P00519 1/20 0.40
GRIA2 P42262 1/20 0.39
FFAR1 O14842 1/20 0.39
SLK Q9H2G2 1/20 0.39

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
SCHEMBL923011 0.92 EPAS1 (0.47) EPAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL29478762 0.88 GRM5 (0.48) EPAS1VEGFACETPTRPA1SCN5A
SCHEMBL689277 0.88 GRM5 (0.48) EPAS1VEGFACETPTRPA1SCN5A
SCHEMBL921728 0.87 SCN9A (0.49) PDE4APDE4BPDE4CPDE4DAR
SCHEMBL10923033 0.86 PDE4A (0.55) EPAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL921865 0.83 TRPA1 (0.49) EPAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL8379001 0.82 PDE4A (0.54) EPAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL923535 0.81 ALOX5 (0.50) EPAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL16447550 0.81 MRGPRX4 (0.50) PDE4APDE4BPDE4CPDE4DAR
SCHEMBL7186441 0.81 PGR (0.55) PDE4APDE4BPDE4CPDE4DPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155408-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS, INC (US) 2014-06-05 US 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
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
WO-2009107764-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS 住友化学株式会社 (JP) 2009-09-03 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 EPAS1 2104/4885PDE4A 4539/4885PDE4B 4455/4885
US-20140155408-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY PCK1, PDK3, PDK2 EPAS1 1420/4885PDE4A 1502/4885PDE4B 1561/4885

“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.