SCHEMBL5409702

SCHEMBL5409702

NC(=O)c1ccc(F)cc1Cl.O=S(=O)(O)/C=C/c1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.48
HTR2C P28335 4/20 0.48
KCNH2 Q12809 2/20 0.47
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
NFE2L2 Q16236 3/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
HPGD P15428 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
PYGL P06737 2/20 0.37
KMT2A Q03164 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
SCHEMBL4619842 0.94 HTR2A (0.46) HTR2AHTR2CKCNH2PTGS1PTGS2
SCHEMBL27717788 0.84 ALDH1A1 (0.36) HTR2AHTR2CKCNH2HPGDCYP1A1
SCHEMBL5419492 0.84 ALDH1A1 (0.36) HTR2AHTR2CKCNH2HPGDCYP1A1
SCHEMBL5414130 0.83 PTGES2 (0.40) HTR2AHTR2CKCNH2HPGDPYGL
SCHEMBL27717765 0.82 HTR2A (0.43) HTR2AHTR2CKCNH2HPGDKMT2A
SCHEMBL5411555 0.82 MAOB (0.49) HTR2AHTR2CKCNH2NFE2L2HPGD
SCHEMBL5418978 0.82 HTR2A (0.43) HTR2AHTR2CKCNH2HPGDKMT2A
SCHEMBL28775723 0.82 MAOB (0.49) HTR2AHTR2CKCNH2NFE2L2HPGD
SCHEMBL5416929 0.81 PTGES2 (0.48) KCNH2NFE2L2HPGDPYGL
SCHEMBL5407438 0.81 PTGES2 (0.49) HTR2AHTR2CKCNH2PTGS2HPGD

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 HTR2A 3289/4885HTR2C 3077/4885KCNH2 830/4885

“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.