SCHEMBL4014971

SCHEMBL4014971

O=S(O)c1ccc(C=Cc2ccc(F)cc2F)cc1.[NaH]

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 9/20 0.65
HTR2A P28223 6/20 0.52
HTR2C P28335 6/20 0.52
KCNH2 Q12809 3/20 0.52
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
NR3C2 P08235 2/20 0.42
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 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
SCHEMBL3162019 0.84 HSD11B1 (0.48) NFE2L2HTR2AHTR2CKCNH2PTGS1
SCHEMBL4014968 0.82 NFE2L2 (0.65) NFE2L2HTR2AHTR2CKCNH2PTGS1
SCHEMBL4014974 0.82 NFE2L2 (0.65) NFE2L2HTR2AHTR2CKCNH2PTGS1
SCHEMBL13790315 0.82 NFE2L2 (0.96) NFE2L2HTR2AHTR2CKCNH2PTGS1
SCHEMBL21030098 0.80 NFE2L2 (1.00) NFE2L2HTR2AHTR2CKCNH2PTGS1
SCHEMBL20995877 0.74 NFE2L2 (1.00) NFE2L2HTR2AHTR2CKCNH2PTGS1
SCHEMBL20995870 0.74 NFE2L2 (1.00) NFE2L2HTR2AHTR2CKCNH2PTGS1
SCHEMBL723353 0.73 NFE2L2 (0.78) NFE2L2HTR2AHTR2CKCNH2PTGS1
SCHEMBL723352 0.73 NFE2L2 (0.78) NFE2L2HTR2AHTR2CKCNH2PTGS1
SCHEMBL1755404 0.73 NFE2L2 (0.78) NFE2L2HTR2AHTR2CKCNH2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists CASTRO PINEIRO JOSE LUIS 2009-07-02 US disclosed
EP-1858852-B1 HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-07-01 EP disclosed
US-7468393-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME LTD. (GB) 2008-12-23 US disclosed
US-20080280956-A1 Heteroarylsulfonyl Stilbenes as 5-Ht2a Antagonists GILLIGAN MYRA 2008-11-13 US disclosed
EP-1858852-A1 HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-11-28 EP disclosed
US-20070203205-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2007-08-30 US disclosed
US-7217740-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP AND DOHME 2007-05-15 US disclosed
WO-2006095205-A1 HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-09-14 WO disclosed
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-03-09 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 (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-20070203205-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A NFE2L2 3662/4885HTR2A 1/4885HTR2C 4/4885
US-20080280956-A1 Heteroarylsulfonyl Stilbenes as 5-Ht2a Antagonists HTR2A, HTR2B, HTR2C NFE2L2 2791/4885HTR2A 1/4885HTR2C 3/4885
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A NFE2L2 3662/4885HTR2A 1/4885HTR2C 4/4885
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists HTR2A, HTR2B, HTR1A NFE2L2 3662/4885HTR2A 1/4885HTR2C 4/4885

“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.