SCHEMBL3159665

SCHEMBL3159665

COC(=O)c1ccccc1S(=O)(=O)c1ccc(C=Cc2ccc(F)cc2F)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.75
HTR2C P28335 10/20 0.75
KCNH2 Q12809 8/20 0.62
CYP2D6 P10635 1/20 0.46
NFE2L2 Q16236 2/20 0.46
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
MMP12 P39900 2/20 0.44
MMP13 P45452 2/20 0.44
MMP14 P50281 2/20 0.44
MMP16 P51512 2/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42

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
SCHEMBL3152195 1.00 HTR2A (0.75) HTR2AHTR2CKCNH2CYP2D6NFE2L2
SCHEMBL3157210 0.89 HTR2A (0.58) HTR2AHTR2CKCNH2CYP2D6MMP2
SCHEMBL3157221 0.89 HTR2A (0.58) HTR2AHTR2CKCNH2CYP2D6MMP2
SCHEMBL3166649 0.88 HTR2A (0.80) HTR2AHTR2CKCNH2CYP2D6NFE2L2
SCHEMBL3166639 0.88 HTR2A (0.80) HTR2AHTR2CKCNH2CYP2D6NFE2L2
SCHEMBL3172177 0.87 HTR2A (0.81) HTR2AHTR2CKCNH2CYP2D6NFE2L2
SCHEMBL3172183 0.87 HTR2A (0.81) HTR2AHTR2CKCNH2CYP2D6NFE2L2
SCHEMBL3157651 0.86 HTR2A (1.00) HTR2AHTR2CKCNH2CYP2D6NFE2L2
SCHEMBL3157660 0.86 HTR2A (1.00) HTR2AHTR2CKCNH2CYP2D6NFE2L2
SCHEMBL3151871 0.79 HTR2A (0.66) HTR2AHTR2CKCNH2CYP2D6NFE2L2

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 15 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 claimed
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists CASTRO PINEIRO JOSE LUIS 2009-07-02 US claimed
US-7468393-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME LTD. (GB) 2008-12-23 US claimed
US-20070203205-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2007-08-30 US claimed
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-03-09 US claimed
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.