SCHEMBL3162019

SCHEMBL3162019

O=S(O)c1ccc(C=Cc2ccc(F)cc2)cc1.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
NFE2L2 Q16236 7/20 0.48
PTGS1 P23219 3/20 0.47
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
KCNH2 Q12809 2/20 0.46
TNFRSF1A P19438 1/20 0.44
PTGS2 P35354 2/20 0.43
ALOX5 P09917 1/20 0.43
APP P05067 1/20 0.42
FBP1 P09467 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
SCHEMBL161234 0.87 CES2 (0.40) HSD11B1PTGS1
SCHEMBL4614322 0.85 CES2 (0.42) PTGS1
SCHEMBL4014971 0.84 NFE2L2 (0.65) NFE2L2PTGS1HTR2AHTR2CKCNH2
Ammonia Solution, Strong SCHEMBL4615643 0.83 CES2 (0.40) HSD11B1PTGS1
SCHEMBL11323370 0.83 CES2 (0.40) HSD11B1PTGS1
SCHEMBL3162012 0.76 NFE2L2 (0.48) HSD11B1NFE2L2PTGS1HTR2AHTR2C
SCHEMBL3162027 0.76 NFE2L2 (0.48) HSD11B1NFE2L2PTGS1HTR2AHTR2C
SCHEMBL700051 0.75 NFE2L2 (0.78) HSD11B1NFE2L2PTGS1TNFRSF1APTGS2
SCHEMBL11859127 0.75 CA1 (0.33)
SCHEMBL22468800 0.75 NFE2L2 (0.78) HSD11B1NFE2L2PTGS1TNFRSF1APTGS2

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 12 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
EP-1858852-B1 HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-07-01 EP disclosed
US-7468393-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME LTD. (GB) 2008-12-23 US disclosed
US-20080280956-A1 Heteroarylsulfonyl Stilbenes as 5-Ht2a Antagonists GILLIGAN MYRA 2008-11-13 US disclosed
EP-1858852-A1 HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-11-28 EP 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
WO-2006095205-A1 HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-09-14 WO 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 (4 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 HSD11B1 951/4885NFE2L2 3662/4885PTGS1 794/4885
US-20080280956-A1 Heteroarylsulfonyl Stilbenes as 5-Ht2a Antagonists HTR2A, HTR2B, HTR2C HSD11B1 894/4885NFE2L2 2791/4885PTGS1 426/4885
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A HSD11B1 951/4885NFE2L2 3662/4885PTGS1 794/4885
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists HTR2A, HTR2B, HTR1A HSD11B1 951/4885NFE2L2 3662/4885PTGS1 794/4885

“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.