SCHEMBL3156969

SCHEMBL3156969

C[S+]([O-])c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.59
KCNH2 Q12809 6/20 0.59
HTR2C P28335 4/20 0.59
CYP2D6 P10635 1/20 0.58
NFE2L2 Q16236 2/20 0.42
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL3156980 1.00 HTR2A (0.59) HTR2AKCNH2HTR2CCYP2D6NFE2L2
SCHEMBL3153208 0.79 HTR2A (0.74) HTR2AKCNH2HTR2CCYP2D6NFE2L2
SCHEMBL3153214 0.79 HTR2A (0.74) HTR2AKCNH2HTR2CCYP2D6NFE2L2
SCHEMBL4250049 0.79 MMP1 (0.41) HTR2AKCNH2HTR2CCYP2D6MMP1
SCHEMBL3261277 0.75 CYP2D6 (0.62) HTR2AKCNH2HTR2CCYP2D6NFE2L2
SCHEMBL3261278 0.75 CYP2D6 (0.62) HTR2AKCNH2HTR2CCYP2D6NFE2L2
SCHEMBL3166479 0.75 HTR2A (0.62) HTR2AKCNH2HTR2CCYP2D6NFE2L2
SCHEMBL3157531 0.75 HTR2A (0.62) HTR2AKCNH2HTR2CCYP2D6NFE2L2
SCHEMBL3157527 0.75 HTR2A (0.62) HTR2AKCNH2HTR2CCYP2D6NFE2L2
SCHEMBL3166470 0.75 HTR2A (0.62) HTR2AKCNH2HTR2CCYP2D6NFE2L2

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 1/4885KCNH2 552/4885HTR2C 4/4885
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A HTR2A 1/4885KCNH2 552/4885HTR2C 4/4885
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists HTR2A, HTR2B, HTR1A HTR2A 1/4885KCNH2 552/4885HTR2C 4/4885

“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.