SCHEMBL3166649

SCHEMBL3166649

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

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.80
HTR2C P28335 11/20 0.80
KCNH2 Q12809 9/20 0.66
CYP2D6 P10635 1/20 0.49
NFE2L2 Q16236 4/20 0.49
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL3166639 1.00 HTR2A (0.80) HTR2AHTR2CKCNH2CYP2D6NFE2L2
SCHEMBL3172177 0.90 HTR2A (0.81) HTR2AHTR2CKCNH2CYP2D6NFE2L2
SCHEMBL3172183 0.90 HTR2A (0.81) HTR2AHTR2CKCNH2CYP2D6NFE2L2
SCHEMBL3157651 0.89 HTR2A (1.00) HTR2AHTR2CKCNH2CYP2D6NFE2L2
SCHEMBL3157660 0.89 HTR2A (1.00) HTR2AHTR2CKCNH2CYP2D6NFE2L2
SCHEMBL3152195 0.88 HTR2A (0.75) HTR2AHTR2CKCNH2CYP2D6NFE2L2
SCHEMBL3159665 0.88 HTR2A (0.75) HTR2AHTR2CKCNH2CYP2D6NFE2L2
SCHEMBL3166479 0.88 HTR2A (0.62) HTR2AHTR2CKCNH2CYP2D6NFE2L2
SCHEMBL3166470 0.88 HTR2A (0.62) HTR2AHTR2CKCNH2CYP2D6NFE2L2
SCHEMBL4014554 0.83 HTR2A (0.59) 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 6 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
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

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.