SCHEMBL5411577

SCHEMBL5411577

Cc1ccc(/C=C/S(=O)(=O)O)c(C)c1.Cc1ccc(C(N)=O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HSD11B1 P28845 1/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 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
SCHEMBL27717766 1.00 CYP1A1 (0.41) CYP1A1CYP1B1KDM4EMEN1LMNA
SCHEMBL4620075 0.87 FLT1 (0.43) KDM4EMEN1LMNAPOLBHSP90AA1
SCHEMBL27717788 0.85 ALDH1A1 (0.36) CYP1A1CYP1B1KDM4EMEN1LMNA
SCHEMBL27739070 0.85 CA12 (0.44) CYP1A1CYP1B1KDM4EMEN1LMNA
SCHEMBL4619087 0.85 CA12 (0.44) CYP1A1CYP1B1KDM4EMEN1LMNA
SCHEMBL5419492 0.85 ALDH1A1 (0.36) CYP1A1CYP1B1KDM4EMEN1LMNA
SCHEMBL5412818 0.85 NFE2L2 (0.41) MEN1MAPTKMT2ASMN1; SMN2NFE2L2
SCHEMBL27717896 0.85 NFE2L2 (0.41) MEN1MAPTKMT2ASMN1; SMN2NFE2L2
SCHEMBL5424985 0.83 ABCB1 (0.46) KDM4ESMN1; SMN2NFE2L2
SCHEMBL5419373 0.83 CYP1A1 (0.48) CYP1A1CYP1B1KDM4EMEN1LMNA

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 CYP1A1 827/4885CYP1B1 216/4885KDM4E 1941/4885

“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.