SCHEMBL5406529

SCHEMBL5406529

COc1cc(Cl)ccc1C(N)=O.O=S(=O)(O)/C=C/c1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.57
CYP1A2 P05177 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
RELA Q04206 1/20 0.42
CYP2C9 P11712 1/20 0.42
AR P10275 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CXCL12 P48061 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 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
SCHEMBL4620520 0.93 NFE2L2 (0.53) NFE2L2CYP1A2MEN1KMT2ANPC1
SCHEMBL4618224 0.93 NFE2L2 (0.51) NFE2L2CYP1A2MEN1KMT2ANPC1
SCHEMBL5417233 0.93 NFE2L2 (0.51) NFE2L2CYP1A2MEN1KMT2ANPC1
SCHEMBL4260249 0.87 MKNK1 (0.52) NFE2L2CYP1A2KMT2ACYP3A4RAB9A
SCHEMBL4618030 0.85 SMN1; SMN2 (0.49) NFE2L2CYP1A2MEN1KMT2ANPC1
SCHEMBL4259196 0.84 FLT1 (0.41) NFE2L2MEN1KMT2AFLT1FLT4
SCHEMBL5417301 0.84 CYP1A2 (0.46) NFE2L2CYP1A2MEN1KMT2ANPC1
SCHEMBL27717781 0.84 CYP1A2 (0.46) NFE2L2CYP1A2MEN1KMT2ANPC1
SCHEMBL4261051 0.82 NFE2L2 (0.47) NFE2L2CYP1A2MEN1KMT2ANPC1
SCHEMBL4261103 0.82 LMNA (0.43) NFE2L2CYP1A2MEN1KMT2ASMN1; SMN2

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 NFE2L2 1842/4885CYP1A2 836/4885MEN1 1331/4885

“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.