SCHEMBL4014216

SCHEMBL4014216

CC(C)(O)c1cccnc1S(=O)(=O)c1ccc(/C=C/c2ccccc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.51
HTR2A P28223 8/20 0.44
HTR2C P28335 5/20 0.43
KCNH2 Q12809 5/20 0.43
RELA Q04206 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4014219 1.00 NFE2L2 (0.51) NFE2L2HTR2AHTR2CKCNH2RELA
SCHEMBL4016124 0.89 HTR2A (0.57) NFE2L2HTR2AHTR2CKCNH2TRPV1
SCHEMBL4016125 0.89 HTR2A (0.57) NFE2L2HTR2AHTR2CKCNH2TRPV1
SCHEMBL4022104 0.88 HTR2A (0.47) NFE2L2HTR2AHTR2CKCNH2
SCHEMBL4022108 0.88 HTR2A (0.47) NFE2L2HTR2AHTR2CKCNH2
SCHEMBL3151871 0.73 HTR2A (0.66) NFE2L2HTR2AHTR2CKCNH2
SCHEMBL3151857 0.73 HTR2A (0.66) NFE2L2HTR2AHTR2CKCNH2
SCHEMBL3152927 0.73 HTR2A (0.73) NFE2L2HTR2AHTR2CKCNH2RELA
SCHEMBL3152939 0.73 HTR2A (0.73) NFE2L2HTR2AHTR2CKCNH2RELA
SCHEMBL3167270 0.72 HTR2A (0.65) NFE2L2HTR2AHTR2CKCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280956-A1 Heteroarylsulfonyl Stilbenes as 5-Ht2a Antagonists GILLIGAN MYRA 2008-11-13 US claimed
EP-1858852-B1 HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-07-01 EP disclosed
US-20080280956-A1 Heteroarylsulfonyl Stilbenes as 5-Ht2a Antagonists GILLIGAN MYRA 2008-11-13 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 (1 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-20080280956-A1 Heteroarylsulfonyl Stilbenes as 5-Ht2a Antagonists HTR2A, HTR2B, HTR2C NFE2L2 2791/4885HTR2A 1/4885HTR2C 3/4885

“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.