SCHEMBL5404081

SCHEMBL5404081

NC(=O)c1ccc(F)cc1C(F)(F)F.O=S(=O)(O)/C=C/c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 3/20 0.41
NFE2L2 Q16236 6/20 0.39
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOB P27338 1/20 0.35
GAA P10253 1/20 0.35
HSD11B1 P28845 1/20 0.34
PBRM1 Q86U86 1/20 0.34
PDK2 Q15119 1/20 0.34
F2R P25116 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33

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
SCHEMBL27717772 1.00 PTGES2 (0.41) PTGES2NFE2L2HTR2AHTR2CABCG2
SCHEMBL5409657 0.89 CES2 (0.43) PTGES2NFE2L2ABCG2KCNH2
SCHEMBL27717791 0.84 NFE2L2 (0.40) PTGES2NFE2L2HTR2AHTR2CABCG2
SCHEMBL5404000 0.84 NFE2L2 (0.40) PTGES2NFE2L2HTR2AHTR2CABCG2
SCHEMBL4620011 0.84 HTR2A (0.41) PTGES2HTR2AHTR2CKCNH2MAOB
SCHEMBL27717789 0.84 HTR2A (0.41) PTGES2HTR2AHTR2CKCNH2MAOB
SCHEMBL5408888 0.83 PTGES2 (0.46) PTGES2NFE2L2NPC1MAPTRAB9A
SCHEMBL27717776 0.83 PTGES2 (0.46) PTGES2NFE2L2NPC1MAPTRAB9A
SCHEMBL5406602 0.82 MAOB (0.44) PTGES2NFE2L2HTR2AHTR2CKCNH2
SCHEMBL27717773 0.82 MAOB (0.44) PTGES2NFE2L2HTR2AHTR2CKCNH2

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
CN-101268042-A Styryl sulfonamides, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-09-17 CN 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
CN-101268042-A Styryl sulfonamides, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-09-17 CN 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 1842/4885HTR2A 3289/4885

“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.