SCHEMBL5407438

SCHEMBL5407438

NC(=O)c1ccc(F)cc1Cl.O=S(=O)(O)/C=C/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 3/20 0.49
PTGS2 P35354 1/20 0.39
PYGL P06737 8/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
MAOB P27338 1/20 0.37
GUSB P08236 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.36
KCNH2 Q12809 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL5414215 0.91 PTGES2 (0.48) PTGES2PTGS2PYGLHTR2AHTR2C
SCHEMBL28775723 0.89 MAOB (0.49) PTGES2HTR2AHTR2CMAOBALDH1A1
SCHEMBL5411555 0.89 MAOB (0.49) PTGES2HTR2AHTR2CMAOBALDH1A1
SCHEMBL5414130 0.87 PTGES2 (0.40) PTGES2PYGLHTR2AHTR2CMAOB
SCHEMBL4620100 0.87 FLT1 (0.44) PTGS2PYGLGUSBALDH1A1HPGD
SCHEMBL27739105 0.86 PTGES2 (0.50) PTGES2MAOB
SCHEMBL5420983 0.86 PTGES2 (0.50) PTGES2MAOB
SCHEMBL27717765 0.86 HTR2A (0.43) PTGES2HTR2AHTR2CMAOBALDH1A1
SCHEMBL5418978 0.86 HTR2A (0.43) PTGES2HTR2AHTR2CMAOBALDH1A1
SCHEMBL5414729 0.85 CA12 (0.42) PTGES2PTGS2PYGLGUSBALDH1A1

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 PTGES2 3551/4885PTGS2 3624/4885PYGL 608/4885

“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.