SCHEMBL5414749

SCHEMBL5414749

COc1ccccc1/C=C/S(=O)(=O)O.Cc1ccc(C(N)=O)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LY96 Q9Y6Y9 2/20 0.44
PTGES2 Q9H7Z7 3/20 0.42
AR P10275 1/20 0.42
NFE2L2 Q16236 4/20 0.41
TFEB P19484 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
KDM4E B2RXH2 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ABCB1 P08183 2/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5409079 0.89 PTGES2 (0.50) LY96PTGES2ARNFE2L2TFEB
SCHEMBL5424985 0.89 ABCB1 (0.46) PTGES2ARNFE2L2TFEBNR1H4
SCHEMBL5416380 0.85 AR (0.49) LY96PTGES2ARNFE2L2TFEB
SCHEMBL27738961 0.84 NFE2L2 (0.40) PTGES2NFE2L2KDM4ESMN1; SMN2NPC1
SCHEMBL5419662 0.84 NFE2L2 (0.40) PTGES2NFE2L2KDM4ESMN1; SMN2NPC1
SCHEMBL5409216 0.83 AR (0.49) LY96PTGES2ARNFE2L2TFEB
SCHEMBL27738925 0.82 SMN1; SMN2 (0.46) PTGES2NFE2L2KDM4ESMN1; SMN2PTGS2
SCHEMBL5416951 0.82 SMN1; SMN2 (0.46) PTGES2NFE2L2KDM4ESMN1; SMN2PTGS2
SCHEMBL5414752 0.80 PTGES2 (0.47) LY96PTGES2ARNFE2L2TFEB
SCHEMBL5414746 0.80 PTGES2 (0.47) LY96PTGES2ARNFE2L2TFEB

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 LY96 4178/4885PTGES2 3551/4885AR 1575/4885

“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.