SCHEMBL4620520

SCHEMBL4620520

COc1cc(Cl)ccc1C(N)=O.COc1cccc(/C=C/S(=O)(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.53
ABCG2 Q9UNQ0 4/20 0.45
NQO2 P16083 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43

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
SCHEMBL5406529 0.93 NFE2L2 (0.57) NFE2L2ABCG2CYP1A2CYP3A4CYP2C9
SCHEMBL5415606 0.89 NFE2L2 (0.53) NFE2L2ABCG2CYP3A4CYP2C9CYP2C19
SCHEMBL4618224 0.89 NFE2L2 (0.51) NFE2L2ABCG2CYP1A2CYP3A4CYP2C19
SCHEMBL5417233 0.89 NFE2L2 (0.51) NFE2L2ABCG2CYP1A2CYP3A4CYP2C19
SCHEMBL4260249 0.83 MKNK1 (0.52) NFE2L2CYP1A2CYP3A4CYP2D6RAB9A
SCHEMBL5426917 0.83 NFE2L2 (0.47) NFE2L2ABCG2CYP1A2CYP3A4CYP2D6
SCHEMBL5420215 0.83 NFE2L2 (0.48) NFE2L2ABCG2NR1H4MEN1KMT2A
SCHEMBL4259196 0.81 FLT1 (0.41) NFE2L2ABCG2FLT1FLT4KDR
SCHEMBL4620523 0.81 FLT1 (0.54) NFE2L2ABCG2CYP1A2CYP3A4CYP2D6
SCHEMBL4620518 0.81 FLT1 (0.54) NFE2L2ABCG2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888519-A2 STYRYLSULFONAMIDES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-20 EP claimed
WO-2007054139-A2 STYRYLSULFONAMIDES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO 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 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 1842/4885ABCG2 266/4885NQO2 93/4885

“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.