SCHEMBL3157348

SCHEMBL3157348

O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)cc1)c1ccccc1-c1nnco1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.51
HTR2A P28223 10/20 0.49
KCNH2 Q12809 6/20 0.49
HTR2C P28335 4/20 0.49
NOTUM Q6P988 4/20 0.46
HSD11B1 P28845 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SCN9A Q15858 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL3157354 1.00 CYP2D6 (0.51) CYP2D6HTR2AKCNH2HTR2CNOTUM
SCHEMBL3160013 0.90 HTR2A (0.58) CYP2D6HTR2AKCNH2HTR2CNOTUM
SCHEMBL3160007 0.90 HTR2A (0.58) CYP2D6HTR2AKCNH2HTR2CNOTUM
SCHEMBL4069835 0.82 NOTUM (0.44) NOTUMHSD11B1TSHRMAPK1SCN9A
SCHEMBL3171952 0.80 NOTUM (0.46) NOTUMTSHRKMT2A
SCHEMBL3153208 0.73 HTR2A (0.74) CYP2D6HTR2AKCNH2HTR2CHSD11B1
SCHEMBL3153214 0.73 HTR2A (0.74) CYP2D6HTR2AKCNH2HTR2CHSD11B1
SCHEMBL10355100 0.72 HSD11B1 (0.57) CYP2D6HTR2AKCNH2HTR2CHSD11B1
SCHEMBL4013315 0.71 CYP2D6 (0.57) CYP2D6HTR2AKCNH2HTR2C
SCHEMBL4013317 0.71 CYP2D6 (0.57) CYP2D6HTR2AKCNH2HTR2C

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 16 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-20070203205-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2007-08-30 US claimed
EP-1786768-A1 ARYLSULPHONYLSTILBENE DERIVATIVES FOR TREATMENT OF INSOMNIA AND RELATED CONDITIONS Merck Sharp & Dohme Limited (GB) 2007-05-23 EP claimed
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-03-09 US claimed
WO-2006021806-A1 ARYLSULPHONYLSTILBENE DERIVATIVES FOR TREATMENT OF INSOMNIA AND RELATED CONDITIONS MERCK SHARP & DOHME LIMITED (GB) 2006-03-02 WO 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 CYP2D6 102/4885HTR2A 1/4885KCNH2 552/4885
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A CYP2D6 102/4885HTR2A 1/4885KCNH2 552/4885
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists HTR2A, HTR2B, HTR1A CYP2D6 102/4885HTR2A 1/4885KCNH2 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.