SCHEMBL4021135

SCHEMBL4021135

O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)cc1)c1ncccc1C1(O)CCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.44
KCNH2 Q12809 5/20 0.44
CYP2D6 P10635 1/20 0.41
HTR2C P28335 3/20 0.40
NFE2L2 Q16236 4/20 0.38
COMT P21964 2/20 0.37
NAMPT P43490 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 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
SCHEMBL4021141 1.00 HTR2A (0.44) HTR2AKCNH2CYP2D6HTR2CNFE2L2
SCHEMBL4019169 0.90 HTR2A (0.54) HTR2AKCNH2HTR2CNFE2L2COMT
SCHEMBL4019173 0.90 HTR2A (0.54) HTR2AKCNH2HTR2CNFE2L2COMT
SCHEMBL4069080 0.83 PIK3CA (0.35) NFE2L2COMT
SCHEMBL5277441 0.82 RORC (0.47) RAB9A
SCHEMBL4014072 0.77 HTR2A (0.51) HTR2AKCNH2CYP2D6HTR2CNFE2L2
SCHEMBL4014078 0.77 HTR2A (0.51) HTR2AKCNH2CYP2D6HTR2CNFE2L2
SCHEMBL5275690 0.77 PPIA (0.38) HTR2AHTR2CCOMTNAMPTKMT2A
SCHEMBL4015055 0.75 KMT2A (0.61) HTR2AKCNH2CYP2D6HTR2CNFE2L2
SCHEMBL4016838 0.75 KMT2A (0.61) HTR2AKCNH2CYP2D6HTR2CNFE2L2

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 HTR2A 1/4885KCNH2 1308/4885CYP2D6 277/4885

“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.