SCHEMBL7044387

SCHEMBL7044387

O=C1CCC(c2ccc(-c3ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)cc2)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
AKR1C3 P42330 1/20 0.35
KIF11 P52732 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33
ACHE P22303 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
SYK P43405 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
SCN9A Q15858 1/20 0.32
CMA1 P23946 2/20 0.31

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
SCHEMBL14063609 0.87 DRD2 (0.40) CA1CA2KIF11PDE4APDE4B
SCHEMBL3495660 0.82 DRD2 (0.43) CA1CA2PDE4APDE4BPDE4C
SCHEMBL7045469 0.82 DRD2 (0.43) CA1CA2PDE4APDE4BPDE4C
SCHEMBL5889322 0.77 GRIN2B (0.49) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL4148437 0.77 GRIN2B (0.49) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL7041726 0.76 CA2 (0.41) CA1CA2PDE4APDE4BPDE4C
SCHEMBL13945021 0.74 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL14474703 0.74 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL575913 0.73 CA2 (0.51) CA1CA2KIF11JAK2JAK3
SCHEMBL5620504 0.73 GRIN2B (0.46) PDE4APDE4BPDE4CPDE4DSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220386-A1 Delta 1-pyrrolines for use as pesticides BAYER CROPSCIENCE AG (DE) 2003-11-27 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-20030220386-A1 Delta 1-pyrrolines for use as pesticides DDT, OPRD1, PRMT1 CA1 2269/4885CA2 2815/4885AKR1C3 1960/4885

“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.