SCHEMBL4615068

SCHEMBL4615068

Cc1cc(Oc2cccc(C#N)c2)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 4/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
AR P10275 4/20 0.43
PPARG P37231 1/20 0.43
HAO1 Q9UJM8 1/20 0.42
VEGFA P15692 2/20 0.41
PGR P06401 1/20 0.40
GRIA2 P42262 1/20 0.39
MGLL Q99685 1/20 0.39
MAP4K4 O95819 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CKS1B P61024 1/20 0.37
SKP2 Q13309 1/20 0.37

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
SCHEMBL18165808 0.85 PDE4A (0.48) EPAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL2529476 0.85 HAO1 (0.45) PDE4APDE4BPDE4CPDE4DAR
SCHEMBL30426136 0.85 HAO1 (0.45) PDE4APDE4BPDE4CPDE4DAR
SCHEMBL16792406 0.84 PPARG (0.48) EPAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL10923033 0.81 PDE4A (0.55) EPAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL8379001 0.81 PDE4A (0.54) EPAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL922270 0.80 AR (0.55) EPAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5787364 0.80 PDE4A (0.49) EPAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL27839327 0.79 PDE4A (0.53) EPAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL15186257 0.79 PPARG (0.44) EPAS1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 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 (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-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD EPAS1 832/4885PDE4A 1333/4885PDE4B 1865/4885

“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.