SCHEMBL3153192

SCHEMBL3153192

[O-][S+](c1ccc(F)cc1)c1ccc(/C=C/c2ccc(F)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.48
KCNH2 Q12809 3/20 0.48
NFE2L2 Q16236 7/20 0.40
GRM4 Q14833 1/20 0.36
PTGS1 P23219 2/20 0.36
APP P05067 1/20 0.36
FBP1 P09467 1/20 0.35
HTR2C P28335 1/20 0.35
PTGS2 P35354 1/20 0.34

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
SCHEMBL3153202 1.00 HTR2A (0.48) HTR2AKCNH2NFE2L2GRM4PTGS1
Hydrochloric Acid SCHEMBL5187735 0.68 NFE2L2 (0.44) HTR2ANFE2L2GRM4PTGS1
SCHEMBL776183 0.67 CA1 (0.38) NFE2L2FBP1
SCHEMBL13766558 0.67 NFE2L2 (0.78) NFE2L2PTGS1APPFBP1PTGS2
SCHEMBL22468800 0.67 NFE2L2 (0.78) NFE2L2PTGS1APPFBP1PTGS2
SCHEMBL700051 0.67 NFE2L2 (0.78) NFE2L2PTGS1APPFBP1PTGS2
SCHEMBL13766470 0.67 NFE2L2 (0.78) NFE2L2PTGS1APPFBP1PTGS2
SCHEMBL700052 0.67 NFE2L2 (0.78) NFE2L2PTGS1APPFBP1PTGS2
SCHEMBL10826432 0.66 FBP1 (0.32) NFE2L2FBP1
SCHEMBL13167602 0.65 HTR2A (0.61) HTR2AKCNH2NFE2L2GRM4PTGS1

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 1/4885KCNH2 552/4885NFE2L2 3662/4885
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A HTR2A 1/4885KCNH2 552/4885NFE2L2 3662/4885
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists HTR2A, HTR2B, HTR1A HTR2A 1/4885KCNH2 552/4885NFE2L2 3662/4885

“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.