SCHEMBL5114099

SCHEMBL5114099

COc1ccc(S(=O)(=O)CNCCCCC(=O)CNCc2ccc(C3=NCCN3C(=O)O)cc2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.37
TP53 P04637 1/20 0.35
BDKRB1 P46663 1/20 0.34
CACNA1G O43497 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 6/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
PKM P14618 1/20 0.31
THRB P10828 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL5119291 0.92 SLC2A1 (0.37) SLC2A1BDKRB1CACNA1GKMT2AMEN1
SCHEMBL5117882 0.90 CNR1 (0.34) ALDH1A1KDM4E
SCHEMBL5118264 0.89 SLC2A1 (0.35) SLC2A1TP53KMT2AMEN1ALDH1A1
SCHEMBL5125649 0.89 BDKRB1 (0.38) SLC2A1TP53BDKRB1KMT2AMEN1
SCHEMBL5124696 0.87 LMNA (0.41) TP53KMT2AMEN1THRBMAPT
SCHEMBL5126502 0.87 KMT2A (0.34) TP53CACNA1GKMT2AMEN1ALDH1A1
SCHEMBL5114092 0.87 BDKRB1 (0.43) SLC2A1TP53BDKRB1ALDH1A1
SCHEMBL5126340 0.84 SMN1; SMN2 (0.30) BDKRB1
SCHEMBL5111650 0.84 TP53 (0.35) TP53BDKRB1KMT2AMEN1ALDH1A1
SCHEMBL5114297 0.84 SLC2A1 (0.34) SLC2A1ALDH1A1RAB9A

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 SLC2A1 2323/4885TP53 2886/4885BDKRB1 1217/4885

“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.