SCHEMBL5409079

SCHEMBL5409079

COc1ccccc1/C=C/S(=O)(=O)O.NC(=O)c1ccc(F)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 7/20 0.50
AR P10275 2/20 0.47
LY96 Q9Y6Y9 2/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
RELA Q04206 1/20 0.43
NFE2L2 Q16236 4/20 0.41
TFEB P19484 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL5414749 0.89 LY96 (0.44) PTGES2ARLY96BCHEACHE
SCHEMBL5416929 0.88 PTGES2 (0.48) PTGES2ARBCHEACHERELA
SCHEMBL5404000 0.84 NFE2L2 (0.40) PTGES2NFE2L2KDM4E
SCHEMBL27717791 0.84 NFE2L2 (0.40) PTGES2NFE2L2KDM4E
SCHEMBL5409216 0.83 AR (0.49) PTGES2ARLY96BCHEACHE
SCHEMBL5416380 0.83 AR (0.49) PTGES2ARLY96BCHEACHE
SCHEMBL27717784 0.82 ALDH1A1 (0.44) PTGES2KDM4E
SCHEMBL5426631 0.82 ALDH1A1 (0.44) PTGES2KDM4E
SCHEMBL5426609 0.81 NFE2L2 (0.47) BCHENFE2L2NR1H4KDM4E
SCHEMBL5409076 0.80 PTGES2 (0.55) PTGES2ARLY96BCHEACHE

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
US-7208526-B2 For example, (E)-2-(4-Chloro-phenyl)-ethenesulfonic acid 2,4-dichloro-benzoylamide; for use in the control or prevention of illnesses such as cancer; antitumor agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US claimed
US-20060270874-A1 Styrylsulfonamides HOFFMANN-LA ROCHE INC. 2006-11-30 US claimed
US-7208526-B2 For example, (E)-2-(4-Chloro-phenyl)-ethenesulfonic acid 2,4-dichloro-benzoylamide; for use in the control or prevention of illnesses such as cancer; antitumor agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
US-20060270874-A1 Styrylsulfonamides HOFFMANN-LA ROCHE INC. 2006-11-30 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-20060270874-A1 Styrylsulfonamides STS, SULT1E1, BRCA1 PTGES2 3551/4885AR 1575/4885LY96 4178/4885

“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.