SCHEMBL4021174

SCHEMBL4021174

C[C@H](O)c1ccncc1S(=O)(=O)c1ccc(C=Cc2ccc(F)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.70
KCNH2 Q12809 7/20 0.70
HTR2C P28335 5/20 0.70
CYP2D6 P10635 1/20 0.46
NAMPT P43490 4/20 0.40
PTGS2 P35354 4/20 0.36
PTGS1 P23219 2/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL4021169 1.00 HTR2A (0.70) HTR2AKCNH2HTR2CCYP2D6NAMPT
SCHEMBL3166694 0.82 HTR2A (1.00) HTR2AKCNH2HTR2CCYP2D6
SCHEMBL3166703 0.82 HTR2A (1.00) HTR2AKCNH2HTR2CCYP2D6
SCHEMBL4015833 0.79 HTR2A (0.48) HTR2AKCNH2HTR2CCYP2D6NAMPT
SCHEMBL4015837 0.79 HTR2A (0.48) HTR2AKCNH2HTR2CCYP2D6NAMPT
SCHEMBL4019650 0.76 HTR2A (0.66) HTR2AKCNH2HTR2CCYP2D6NAMPT
SCHEMBL4019652 0.76 HTR2A (0.66) HTR2AKCNH2HTR2CCYP2D6NAMPT
SCHEMBL5285969 0.74 CYP2D6 (0.53) HTR2AKCNH2HTR2CCYP2D6NAMPT
SCHEMBL5285965 0.74 CYP2D6 (0.53) HTR2AKCNH2HTR2CCYP2D6NAMPT
SCHEMBL3166318 0.72 HTR2A (0.78) HTR2AKCNH2HTR2CCYP2D6PTGS2

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 1308/4885HTR2C 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.