SCHEMBL3166203

SCHEMBL3166203

O=Cc1cc(/C=C/c2ccc(F)cc2F)ccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.70
HTR2C P28335 9/20 0.70
KCNH2 Q12809 7/20 0.70
NFE2L2 Q16236 4/20 0.49
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
NR3C2 P08235 2/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3166210 1.00 HTR2A (0.70) HTR2AHTR2CKCNH2NFE2L2PTGS1
SCHEMBL3166540 0.86 HTR2A (0.72) HTR2AHTR2CKCNH2NFE2L2CYP2D6
SCHEMBL3166547 0.86 HTR2A (0.72) HTR2AHTR2CKCNH2NFE2L2CYP2D6
SCHEMBL3157074 0.85 HTR2A (0.70) HTR2AHTR2CKCNH2NFE2L2PTGS1
SCHEMBL3157079 0.85 HTR2A (0.70) HTR2AHTR2CKCNH2NFE2L2PTGS1
SCHEMBL3171403 0.83 HTR2A (1.00) HTR2AHTR2CKCNH2NFE2L2PTGS1
SCHEMBL3171411 0.83 HTR2A (1.00) HTR2AHTR2CKCNH2NFE2L2PTGS1
SCHEMBL16495124 0.83 HTR2A (0.49) HTR2AHTR2CKCNH2
SCHEMBL3161664 0.82 HTR2A (0.66) HTR2AHTR2CKCNH2NFE2L2PTGS1
SCHEMBL3161674 0.82 HTR2A (0.66) HTR2AHTR2CKCNH2NFE2L2PTGS1

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 8 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
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-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.