SCHEMBL5125528

SCHEMBL5125528

COc1ccc(S(=O)(=O)CNCCOCC(=O)N(C)Cc2ccc(C3=NCCN3C(=O)O)cc2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.52
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSPO P30536 1/20 0.32

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
SCHEMBL5125641 0.92 BDKRB1 (0.52) BDKRB1ALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL5119282 0.89 BDKRB1 (0.42) BDKRB1ALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL5125538 0.87 BDKRB1 (0.38) BDKRB1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5110408 0.86 BDKRB1 (0.40) BDKRB1NPC1RAB9AMEN1KMT2A
SCHEMBL5125523 0.86 BDKRB1 (0.70) BDKRB1
SCHEMBL5118556 0.85 BDKRB1 (0.39) BDKRB1ALDH1A1
SCHEMBL5118230 0.85 BDKRB1 (0.51) BDKRB1NPC1RAB9A
SCHEMBL5119414 0.85 BDKRB1 (0.51) BDKRB1NPC1RAB9AMEN1KMT2A
SCHEMBL5111219 0.84 BDKRB1 (0.45) BDKRB1ALDH1A1NPC1RAB9AMEN1
SCHEMBL5114567 0.83 BDKRB1 (0.38) BDKRB1ALDH1A1SMN1; SMN2MEN1KMT2A

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 BDKRB1 1217/4885ALDH1A1 73/4885HTT 2903/4885

“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.