SCHEMBL5115358

SCHEMBL5115358

CN(C/C=C/C(=O)O)S(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.56
BDKRB1 P46663 1/20 0.42
HSD11B1 P28845 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 5/20 0.39
SLC6A3 Q01959 1/20 0.39
POLQ O75417 1/20 0.39
TACR1 P25103 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GSTO1 P78417 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MMP7 P09237 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
SCHEMBL5115360 1.00 RAB9A (0.56) RAB9ABDKRB1HSD11B1KMT2AMEN1
SCHEMBL5115163 0.80 HTT (0.44) BDKRB1HSD11B1ALDH1A1L3MBTL1KDM4E
SCHEMBL11888733 0.80 RAB9A (0.62) RAB9ABDKRB1HSD11B1KMT2AMEN1
SCHEMBL5125650 0.78 KEAP1 (0.49) ALDH1A1
SCHEMBL5125648 0.78 KEAP1 (0.49) ALDH1A1
SCHEMBL5118895 0.75 MCOLN3 (0.51) BDKRB1HSD11B1KMT2AMEN1ALDH1A1
SCHEMBL3994492 0.75 RAB9A (0.47) RAB9ABDKRB1HSD11B1KMT2AMEN1
SCHEMBL5125908 0.74 BDKRB1 (0.67) RAB9ABDKRB1
SCHEMBL5125903 0.74 BDKRB1 (0.67) RAB9ABDKRB1
SCHEMBL4030114 0.74 BDKRB1 (0.46) RAB9ABDKRB1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 RAB9A 822/4885BDKRB1 1217/4885HSD11B1 521/4885

“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.