SCHEMBL4013315

SCHEMBL4013315

O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)cc1)c1cccnc1F

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.57
HTR2A P28223 10/20 0.56
KCNH2 Q12809 6/20 0.55
HTR2C P28335 4/20 0.54
COMT P21964 2/20 0.50
NFE2L2 Q16236 4/20 0.46
HTR6 P50406 2/20 0.44

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
SCHEMBL4013317 1.00 CYP2D6 (0.57) CYP2D6HTR2AKCNH2HTR2CCOMT
SCHEMBL4919585 0.85 HTR2A (0.52) CYP2D6HTR2AKCNH2HTR2CCOMT
SCHEMBL4919592 0.85 HTR2A (0.52) CYP2D6HTR2AKCNH2HTR2CCOMT
SCHEMBL4015524 0.82 CYP2D6 (0.54) CYP2D6HTR2AKCNH2HTR2CCOMT
SCHEMBL4921640 0.82 HTR2A (0.52) CYP2D6HTR2AKCNH2HTR2CCOMT
SCHEMBL4921634 0.82 HTR2A (0.52) CYP2D6HTR2AKCNH2HTR2CCOMT
SCHEMBL4015522 0.82 CYP2D6 (0.54) CYP2D6HTR2AKCNH2HTR2CCOMT
SCHEMBL4014111 0.81 CYP2D6 (0.53) CYP2D6HTR2AKCNH2HTR2CCOMT
SCHEMBL4014106 0.81 CYP2D6 (0.53) CYP2D6HTR2AKCNH2HTR2CCOMT
SCHEMBL4013310 0.81 HTR2A (0.50) CYP2D6HTR2AKCNH2HTR2CCOMT

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 5 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
EP-1858852-A1 HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-11-28 EP disclosed
WO-2006095205-A1 HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-09-14 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 (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 CYP2D6 277/4885HTR2A 1/4885KCNH2 1308/4885

“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.