SCHEMBL5114597

SCHEMBL5114597

O=C(CNCc1ccc(C2=NCCN2C(=O)O)cc1)COCCN(C1CC1)S(=O)(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.38
NR1H4 Q96RI1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RORC P51449 1/20 0.31
DAGLA Q9Y4D2 1/20 0.30

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
SCHEMBL5111163 0.92 BDKRB1 (0.40) BDKRB1ALDH1A1RORC
SCHEMBL5124978 0.92 BDKRB1 (0.33) BDKRB1ALDH1A1RORC
SCHEMBL5111911 0.91 BDKRB1 (0.34) BDKRB1NR1H4ALDH1A1RORC
SCHEMBL5124595 0.89 BDKRB1 (0.32) BDKRB1NR1H4ALDH1A1RORC
SCHEMBL6763998 0.85 USP2 (0.36) NR1H4ALDH1A1RORC
SCHEMBL5114588 0.84 BDKRB1 (0.56) BDKRB1ALDH1A1RORC
SCHEMBL5115144 0.84 BDKRB1 (0.33) BDKRB1ALDH1A1
SCHEMBL5118182 0.83 BDKRB1 (0.36) BDKRB1ALDH1A1RORC
SCHEMBL5110842 0.81 BDKRB1 (0.34) BDKRB1RORC
SCHEMBL5125375 0.80 NR1H4 (0.38) BDKRB1NR1H4

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 1217/4885NR1H4 15/4885ALDH1A1 73/4885

“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.