SCHEMBL4016427

SCHEMBL4016427

O=S(=O)(c1ccc(Br)cc1)c1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.69
KDM4E B2RXH2 2/20 0.69
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 3/20 0.51
PTGS2 P35354 1/20 0.49
AKR1B1 P15121 1/20 0.47
ABCC9 O60706 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
KCNJ8 Q15842 1/20 0.47
NAMPT P43490 3/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
LOX P28300 1/20 0.43
TXNRD1 Q16881 1/20 0.42

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
SCHEMBL1573626 0.84 KDM4E (0.72) PKMKDM4EALDH1A1PTGS2AKR1B1
SCHEMBL21028305 0.81 KDM4E (1.00) PKMKDM4ELMNAHTTALDH1A1
SCHEMBL7273340 0.81 PKM (0.69) PKMKDM4ELMNAABCC9ABCC8
SCHEMBL21028031 0.81 KDM4E (0.69) PKMKDM4ELMNAMAPTPTGS2
SCHEMBL8866184 0.81 PKM (0.69) PKMKDM4ELMNAALDH1A1ABCC9
SCHEMBL7459868 0.81 KDM4E (0.69) PKMKDM4ELMNAMAPTHTT
SCHEMBL1673906 0.80 KDM4E (0.64) PKMKDM4ELMNAABCC9ABCC8
SCHEMBL29234940 0.78 KDM4E (0.64) PKMKDM4EPTGS2AKR1B1ABCC9
SCHEMBL5609736 0.78 PKM (0.64) PKMKDM4EABCC9ABCC8KCNJ11
SCHEMBL7274163 0.77 PKM (0.63) PKMKDM4ELMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1799658-A2 MODULATORS OF CRTH2 REZEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES AstraZeneca AB (SE) 2007-06-27 EP disclosed
WO-2006095205-A1 HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-09-14 WO disclosed
WO-2006037982-A2 MODULATORS OF CRTH2 RECEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-04-13 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 (2 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 PKM 4622/4885KDM4E 3074/4885LMNA 2704/4885
US-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases PTGDR2, PTGDR, PTGER2 PKM 2382/4885KDM4E 4635/4885LMNA 3601/4885

“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.