SCHEMBL5418921

SCHEMBL5418921

NC(=O)c1ccc(F)cc1C(F)(F)F.O=S(=O)(O)/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 5/20 0.47
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
MAOB P27338 2/20 0.40
CYP1A2 P05177 1/20 0.40
CES2 O00748 1/20 0.40
PTGS1 P23219 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HDAC3 O15379 1/20 0.37
ADAM17 P78536 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
KCNH2 Q12809 1/20 0.37
CA12 O43570 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
SCHEMBL27717780 1.00 PTGES2 (0.47) PTGES2CYP1A1CYP1B1MAOBCYP1A2
SCHEMBL27717773 0.90 MAOB (0.44) PTGES2MAOBHTR2AHTR2CKCNH2
SCHEMBL5406602 0.90 MAOB (0.44) PTGES2MAOBHTR2AHTR2CKCNH2
SCHEMBL27717789 0.89 HTR2A (0.41) PTGES2MAOBHTR2AHTR2CKCNH2
SCHEMBL4620011 0.89 HTR2A (0.41) PTGES2MAOBHTR2AHTR2CKCNH2
SCHEMBL5409694 0.88 PTGES2 (0.47) PTGES2CYP1A1CYP1B1MAOBCYP1A2
SCHEMBL28771576 0.88 PTGES2 (0.47) PTGES2CYP1A1CYP1B1MAOBCYP1A2
SCHEMBL27717775 0.87 PTGES2 (0.48) PTGES2CYP1A1CYP1B1MAOBCYP1A2
SCHEMBL5414820 0.87 PTGES2 (0.48) PTGES2CYP1A1CYP1B1MAOBCYP1A2
SCHEMBL5414240 0.87 CA2 (0.40) PTGES2HTR2AHTR2CHDAC1HDAC8

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 3551/4885CYP1A1 827/4885CYP1B1 216/4885

“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.