SCHEMBL5409657

SCHEMBL5409657

NC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F.O=S(=O)(O)/C=C/c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
AVPR2 P30518 2/20 0.39
GPR27 Q9NS67 2/20 0.39
GPR52 Q9Y2T5 1/20 0.37
NFE2L2 Q16236 3/20 0.36
PTPN1 P18031 1/20 0.36
CDC25B P30305 1/20 0.36
DUSP3 P51452 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL5404081 0.89 PTGES2 (0.41) NFE2L2ABCG2KCNH2PTGES2
SCHEMBL27717772 0.89 PTGES2 (0.41) NFE2L2ABCG2KCNH2PTGES2
SCHEMBL5411412 0.84 NFE2L2 (0.44) CES2AVPR2GPR27NFE2L2PTGES2
SCHEMBL5407610 0.84 CES2 (0.47) CES2FLT1FLT4KDRAVPR2
SCHEMBL5408837 0.83 FLT1 (0.44) CES2FLT1FLT4KDRGPR52
SCHEMBL5403847 0.82 KDR (0.51) CES2FLT1FLT4KDRAVPR2
SCHEMBL4255148 0.81 CES2 (0.39) CES2FLT1FLT4KDRAVPR2
SCHEMBL5412311 0.80 CYP1A1 (0.47) CES2FLT1FLT4KDRAVPR2
SCHEMBL5409663 0.80 FLT1 (0.55) CES2FLT1FLT4KDRAVPR2
SCHEMBL4260382 0.80 CES2 (0.43) CES2FLT1FLT4KDRAVPR2

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 CES2 50/4885FLT1 4126/4885FLT4 4438/4885

“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.