SCHEMBL3615484

SCHEMBL3615484

COc1c2occc2c(S(=O)(=O)C(F)(F)F)c2c(=O)cc(C)oc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.67
CYP1A1 P04798 3/20 0.67
HPGD P15428 3/20 0.67
MAPK1 P28482 3/20 0.67
CYP1A2 P05177 3/20 0.67
CYP1B1 Q16678 2/20 0.67
ALDH1A1 P00352 2/20 0.67
CYP2D6 P10635 2/20 0.67
PDE4A P27815 2/20 0.67
CYP2C19 P33261 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MAPT P10636 1/20 0.56
KCNA3 P22001 7/20 0.53
ADORA3 P0DMS8 2/20 0.48
THRB P10828 1/20 0.48
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
ALOX15 P16050 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
SCHEMBL3612950 0.82 KCNA3 (0.53) CYP3A4CYP1A1HPGDMAPK1CYP1A2
SCHEMBL10300861 0.81 CYP3A4 (0.72) CYP3A4CYP1A1HPGDMAPK1CYP1A2
Khellin SCHEMBL9655 0.81 CYP3A4 (1.00) CYP3A4CYP1A1HPGDMAPK1CYP1A2
Khellin SCHEMBL30839911 0.81 CYP3A4 (1.00) CYP3A4CYP1A1HPGDMAPK1CYP1A2
SCHEMBL3609628 0.80 CYP3A4 (0.82) CYP3A4CYP1A1HPGDMAPK1CYP1A2
SCHEMBL3608653 0.78 KCNA3 (0.47) CYP3A4CYP1A1HPGDMAPK1CYP1A2
SCHEMBL1343992 0.77 CYP3A4 (0.78) CYP3A4CYP1A1HPGDMAPK1CYP1A2
SCHEMBL13920849 0.74 CYP3A4 (0.81) CYP3A4CYP1A1HPGDMAPK1CYP1A2
SCHEMBL12133429 0.73 CYP3A4 (0.77) CYP3A4CYP1A1HPGDMAPK1CYP1A2
SCHEMBL13920848 0.72 CYP3A4 (0.81) CYP3A4CYP1A1HPGDMAPK1CYP1A2

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-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US disclosed
US-8217189-B2 Chromenone potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-07-10 US disclosed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US disclosed
US-20090298931-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-03 US disclosed
WO-2008040057-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2008-04-10 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-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 CYP3A4 2204/4885CYP1A1 2562/4885HPGD 3397/4885
US-20090298931-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNK3, KCNA3, KCND3 CYP3A4 2101/4885CYP1A1 2690/4885HPGD 3387/4885

“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.