SCHEMBL5414729

SCHEMBL5414729

NC(=O)c1ccc(Br)cc1Cl.O=S(=O)(O)/C=C/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
DGAT1 O75907 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
PTGS2 P35354 1/20 0.39
PYGL P06737 7/20 0.39
PTPRC P08575 1/20 0.38
PTPRG P23470 1/20 0.38
GUSB P08236 1/20 0.37
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
PTGES2 Q9H7Z7 3/20 0.37
ALDH1A1 P00352 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL5416906 0.91 PTGS2 (0.41) CA12CA9DGAT1FLT1FLT4
SCHEMBL4620100 0.87 FLT1 (0.44) FLT1FLT4KDRPTGS2PYGL
SCHEMBL5414597 0.86 CYP1A2 (0.46) CA12CA9DGAT1FLT1FLT4
SCHEMBL27717768 0.86 CYP1A2 (0.46) CA12CA9DGAT1FLT1FLT4
SCHEMBL27738949 0.86 CA12 (0.43) CA12CA9DGAT1FLT1FLT4
SCHEMBL5417556 0.86 CA12 (0.43) CA12CA9DGAT1FLT1FLT4
SCHEMBL5407438 0.85 PTGES2 (0.49) PTGS2PYGLGUSBPTGES2ALDH1A1
SCHEMBL5414215 0.83 PTGES2 (0.48) PTGS2PYGLPTGES2ALDH1A1
SCHEMBL5415389 0.83 PTGS2 (0.39) PTGS2PYGLGUSBPTGES2ALDH1A1
SCHEMBL5411645 0.83 AHR (0.41) CA12CA9DGAT1FLT1FLT4

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 CA12 1869/4885CA9 771/4885DGAT1 3744/4885

“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.