SCHEMBL4019929

SCHEMBL4019929

OB(O)C=Cc1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.42
CA1 P00915 4/20 0.42
PTGS2 P35354 1/20 0.42
NFE2L2 Q16236 8/20 0.41
MGLL Q99685 1/20 0.37
CES2 O00748 1/20 0.36
BCHE P06276 1/20 0.36
CES1 P23141 1/20 0.36
CA2 P00918 1/20 0.33
CHEK1 O14757 1/20 0.33
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
CCND3 P30281 1/20 0.33

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
SCHEMBL2020075 0.83 NFE2L2 (0.62) CA1NFE2L2MGLL
SCHEMBL2020074 0.83 NFE2L2 (0.62) CA1NFE2L2MGLL
SCHEMBL8821192 0.74 NFE2L2 (0.76) PTGS2NFE2L2
SCHEMBL16950533 0.72 NFE2L2 (0.46) ERN1PTGS2NFE2L2CES2BCHE
SCHEMBL9419282 0.72 NFE2L2 (0.46) ERN1PTGS2NFE2L2CES2BCHE
SCHEMBL17371178 0.72 NFE2L2 (0.46) ERN1PTGS2NFE2L2CES2BCHE
SCHEMBL2095060 0.72 NFE2L2 (0.46) ERN1PTGS2NFE2L2CES2BCHE
SCHEMBL2095062 0.72 NFE2L2 (0.46) ERN1PTGS2NFE2L2CES2BCHE
SCHEMBL9419281 0.72 NFE2L2 (0.46) ERN1PTGS2NFE2L2CES2BCHE
SCHEMBL3720665 0.72 PTGS2 (0.42) ERN1PTGS2NFE2L2CES2BCHE

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 4 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
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 ERN1 4603/4885CA1 4624/4885PTGS2 292/4885

“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.