SCHEMBL3167199

SCHEMBL3167199

O=S(=O)(c1ccc(CCc2ccc(F)cc2F)cc1)c1cccc(CO)c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.74
HTR2C P28335 12/20 0.74
HTR6 P50406 2/20 0.44
KCNH2 Q12809 9/20 0.41
DRD2 P14416 3/20 0.39
CA2 P00918 2/20 0.39
CYP2D6 P10635 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL3160818 0.86 HTR2A (1.00) HTR2AHTR2CHTR6KCNH2DRD2
SCHEMBL3162418 0.84 HTR2A (0.86) HTR2AHTR2CHTR6KCNH2DRD2
SCHEMBL3166217 0.82 HTR2A (0.73) HTR2AHTR2CHTR6KCNH2DRD2
SCHEMBL3166148 0.80 HTR2A (0.61) HTR2AHTR2CKCNH2DRD2CA2
SCHEMBL3172145 0.77 HTR2A (0.78) HTR2AHTR2CHTR6KCNH2DRD2
SCHEMBL3161980 0.76 HTR2A (0.71) HTR2AHTR2CKCNH2DRD2CA2
SCHEMBL13770798 0.74 HTR2A (0.72) HTR2AHTR2CKCNH2DRD2CYP2D6
SCHEMBL27688803 0.71 HTR2A (0.73) HTR2AHTR2CHTR6KCNH2CA2
SCHEMBL3158485 0.69 HTR2A (0.68) HTR2AHTR2CHTR6KCNH2DRD2
SCHEMBL3166458 0.69 HTR2A (0.68) HTR2AHTR2CHTR6KCNH2DRD2

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 4/4885HTR6 10/4885
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A HTR2A 1/4885HTR2C 4/4885HTR6 10/4885
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists HTR2A, HTR2B, HTR1A HTR2A 1/4885HTR2C 4/4885HTR6 10/4885

“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.