SCHEMBL5117767

SCHEMBL5117767

COc1ccc(S(=O)(=O)CNCCOCC(=O)O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
CNR2 P34972 1/20 0.38
BDKRB1 P46663 1/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCL1 Q07820 1/20 0.35
RAD52 P43351 1/20 0.35
PAX8 Q06710 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL493087 0.86 TDP1 (0.43) TDP1ALDH1A1GAATSHRKDM4E
SCHEMBL4484350 0.85 TDP1 (0.36) TDP1ALDH1A1POLBGAATSHR
SCHEMBL4467178 0.84 EPHX2 (0.40) POLBGAATSHRMAPTCNR2
SCHEMBL493486 0.81 HTT (0.52) TDP1ALDH1A1MAPTHTTNPSR1
SCHEMBL5114277 0.81 ALDH1A1 (0.40) ALDH1A1POLBKDM4EHTT
SCHEMBL4464905 0.79 WDR5 (0.39) TDP1ALDH1A1POLBKDM4EMAPT
SCHEMBL5125393 0.76 KMT2A (0.39) TDP1ALDH1A1TSHRBDKRB1HTT
SCHEMBL571406 0.76 BDKRB1 (0.37) TDP1POLBGAATSHRKDM4E
SCHEMBL5117768 0.76 BDKRB1 (0.57) ALDH1A1TSHRBDKRB1LMNAL3MBTL1
SCHEMBL15347788 0.75 BDKRB1 (0.37) TDP1POLBGAATSHRKDM4E

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 TDP1 3701/4885ALDH1A1 73/4885POLB 1783/4885

“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.