SCHEMBL5411908

SCHEMBL5411908

COc1cccc(/C=C/S(=O)(=O)O)c1.NC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
NR1H4 Q96RI1 3/20 0.40
NFE2L2 Q16236 2/20 0.40
CES2 O00748 1/20 0.40
MAOA P21397 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
FOS P01100 1/20 0.38
JUN P05412 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL5414591 0.90 NFE2L2 (0.45) MAOBKDM4EABCG2NR1H4NFE2L2
SCHEMBL5408837 0.85 FLT1 (0.44) NFE2L2CES2GPR52
SCHEMBL5407610 0.85 CES2 (0.47) MAOBKDM4EALDH1A1HPGDCES2
SCHEMBL5411911 0.82 FLT1 (0.46) MAOBKDM4EALDH1A1HPGDABCG2
SCHEMBL5411412 0.81 NFE2L2 (0.44) MAOBNR1H4NFE2L2CES2MAPK8
SCHEMBL4253751 0.80 MEN1 (0.41) CES2GPR52MAPK8MAPK10
SCHEMBL4261210 0.80 NAMPT (0.45) NFE2L2CES2
SCHEMBL5420973 0.79 AVPR2 (0.47) MAOBKDM4EALDH1A1HPGDNFE2L2
SCHEMBL5403847 0.79 KDR (0.51) MAOBKDM4EALDH1A1HPGDCES2
SCHEMBL5420215 0.78 NFE2L2 (0.48) MAOBKDM4EABCG2NR1H4NFE2L2

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 MAOB 1672/4885KDM4E 1941/4885ALDH1A1 196/4885

“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.