SCHEMBL4476644

SCHEMBL4476644

CN(CCOCC(=O)O)S(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.56
RAB9A P51151 2/20 0.48
HSD11B1 P28845 2/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLQ O75417 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A9 P48067 1/20 0.36
RBP4 P02753 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
SCHEMBL4380676 0.83 RAB9A (0.46) BDKRB1RAB9AHSD11B1ALDH1A1KMT2A
SCHEMBL4467182 0.83 CNR2 (0.44) BDKRB1LMNAKDM4E
SCHEMBL5114284 0.81 HTT (0.48) BDKRB1HSD11B1ALDH1A1LMNAHTT
SCHEMBL11888733 0.80 RAB9A (0.62) BDKRB1RAB9AHSD11B1ALDH1A1KDM4E
SCHEMBL3994492 0.79 RAB9A (0.47) BDKRB1RAB9AHSD11B1ALDH1A1KDM4E
SCHEMBL5128119 0.79 ALDH1A1 (0.55) HSD11B1ALDH1A1LMNAHTTKMT2A
SCHEMBL5124833 0.78 BDKRB1 (0.56) BDKRB1HSD11B1ALDH1A1LMNAHTT
SCHEMBL4033432 0.78 BDKRB1 (0.70) BDKRB1RAB9AKMT2AMEN1
SCHEMBL4000259 0.78 BDKRB1 (0.59) BDKRB1
SCHEMBL6276147 0.77 RAB9A (0.45) BDKRB1RAB9AHSD11B1ALDH1A1KDM4E

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-7538111-B2 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2009-05-26 US disclosed
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2006-08-10 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 (2 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-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LTB4R2, BDKRB2, TBXA2R BDKRB1 11/4885RAB9A 3983/4885HSD11B1 699/4885
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 BDKRB1 1217/4885RAB9A 822/4885HSD11B1 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.