SCHEMBL3166540

SCHEMBL3166540

O=Cc1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2F)cc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.72
HTR2C P28335 10/20 0.72
KCNH2 Q12809 8/20 0.72
NFE2L2 Q16236 5/20 0.54
CYP2D6 P10635 1/20 0.50

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
SCHEMBL3166547 1.00 HTR2A (0.72) HTR2AHTR2CKCNH2NFE2L2CYP2D6
SCHEMBL3261278 0.88 CYP2D6 (0.62) HTR2AHTR2CKCNH2NFE2L2CYP2D6
SCHEMBL3261277 0.88 CYP2D6 (0.62) HTR2AHTR2CKCNH2NFE2L2CYP2D6
SCHEMBL3166203 0.86 HTR2A (0.70) HTR2AHTR2CKCNH2NFE2L2CYP2D6
SCHEMBL3166210 0.86 HTR2A (0.70) HTR2AHTR2CKCNH2NFE2L2CYP2D6
SCHEMBL3151910 0.85 HTR2A (0.72) HTR2AHTR2CKCNH2NFE2L2CYP2D6
SCHEMBL3151915 0.85 HTR2A (0.72) HTR2AHTR2CKCNH2NFE2L2CYP2D6
SCHEMBL3171411 0.84 HTR2A (1.00) HTR2AHTR2CKCNH2NFE2L2CYP2D6
SCHEMBL3171403 0.84 HTR2A (1.00) HTR2AHTR2CKCNH2NFE2L2CYP2D6
SCHEMBL5187855 0.83 HTR2A (0.66) HTR2AHTR2CKCNH2NFE2L2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807393-B1 DIARYLSULFONES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2010-03-31 EP disclosed
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists CASTRO PINEIRO JOSE LUIS 2009-07-02 US disclosed
US-7468393-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME LTD. (GB) 2008-12-23 US disclosed
US-20070203205-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2007-08-30 US disclosed
EP-1807393-A1 DIARYLSULFONES AS 5-HT2A ANTAGONISTS Merck Sharp & Dohme Limited (GB) 2007-07-18 EP disclosed
EP-1786768-A1 ARYLSULPHONYLSTILBENE DERIVATIVES FOR TREATMENT OF INSOMNIA AND RELATED CONDITIONS Merck Sharp & Dohme Limited (GB) 2007-05-23 EP disclosed
US-7217740-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP AND DOHME 2007-05-15 US disclosed
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-03-09 US disclosed
WO-2006021806-A1 ARYLSULPHONYLSTILBENE DERIVATIVES FOR TREATMENT OF INSOMNIA AND RELATED CONDITIONS MERCK SHARP & DOHME LIMITED (GB) 2006-03-02 WO disclosed
WO-2006021805-A1 DIARYLSULFONES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-03-02 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 (3 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 HTR2A 1/4885HTR2C 4/4885KCNH2 552/4885
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A HTR2A 1/4885HTR2C 4/4885KCNH2 552/4885
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists HTR2A, HTR2B, HTR1A HTR2A 1/4885HTR2C 4/4885KCNH2 552/4885

“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.