SCHEMBL4620139

SCHEMBL4620139

NC(=O)c1ccc(Cl)cc1Br.O=S(=O)(O)/C=C/c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.39
NFE2L2 Q16236 4/20 0.39
FLT1 P17948 2/20 0.39
FLT4 P35916 2/20 0.39
KDR P35968 2/20 0.39
ABCG2 Q9UNQ0 3/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GPR27 Q9NS67 1/20 0.38
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL27738977 1.00 PTGES2 (0.39) PTGES2NFE2L2FLT1FLT4KDR
SCHEMBL4619406 0.90 MAPT (0.45) PTGES2NFE2L2FLT1FLT4KDR
SCHEMBL5419662 0.88 NFE2L2 (0.40) PTGES2NFE2L2ABCG2HDAC1HDAC8
SCHEMBL27738961 0.88 NFE2L2 (0.40) PTGES2NFE2L2ABCG2HDAC1HDAC8
SCHEMBL5404000 0.88 NFE2L2 (0.40) PTGES2NFE2L2ABCG2HDAC1HDAC8
SCHEMBL27717791 0.88 NFE2L2 (0.40) PTGES2NFE2L2ABCG2HDAC1HDAC8
SCHEMBL5420996 0.86 NFE2L2 (0.41) PTGES2NFE2L2FLT1FLT4KDR
SCHEMBL27739103 0.86 NFE2L2 (0.41) PTGES2NFE2L2FLT1FLT4KDR
SCHEMBL4619057 0.85 CA12 (0.48) PTGES2NFE2L2FLT1FLT4KDR
SCHEMBL5415170 0.85 GPR27 (0.41) NFE2L2FLT1FLT4KDRRAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101268042-A Styryl sulfonamides, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-09-17 CN disclosed
EP-1888519-A2 STYRYLSULFONAMIDES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-20 EP disclosed
WO-2007054139-A2 STYRYLSULFONAMIDES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed
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 PTGES2 3551/4885NFE2L2 1842/4885FLT1 4126/4885

“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.