SCHEMBL4012940

SCHEMBL4012940

COC(=O)c1ncccc1S(=O)(=O)c1ccc(C=Cc2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.52
KCNH2 Q12809 4/20 0.52
HTR2C P28335 3/20 0.52
CYP2D6 P10635 1/20 0.51
ACLY P53396 1/20 0.46
COMT P21964 2/20 0.43
NAMPT P43490 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
DHODH Q02127 1/20 0.40

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
SCHEMBL4012937 1.00 HTR2A (0.52) HTR2AKCNH2HTR2CCYP2D6ACLY
SCHEMBL4015524 0.86 CYP2D6 (0.54) HTR2AKCNH2HTR2CCYP2D6COMT
SCHEMBL4015522 0.86 CYP2D6 (0.54) HTR2AKCNH2HTR2CCYP2D6COMT
SCHEMBL4014106 0.85 CYP2D6 (0.53) HTR2AKCNH2HTR2CCYP2D6COMT
SCHEMBL4014111 0.85 CYP2D6 (0.53) HTR2AKCNH2HTR2CCYP2D6COMT
SCHEMBL4014145 0.82 HTR2A (0.45) HTR2AKCNH2HTR2CCYP2D6COMT
SCHEMBL4014140 0.82 HTR2A (0.45) HTR2AKCNH2HTR2CCYP2D6COMT
SCHEMBL3157210 0.81 HTR2A (0.58) HTR2AKCNH2HTR2CCYP2D6
SCHEMBL3157221 0.81 HTR2A (0.58) HTR2AKCNH2HTR2CCYP2D6
SCHEMBL7562853 0.81 SNCA (0.52) L3MBTL1DHODH

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 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.