SCHEMBL5124589

SCHEMBL5124589

CN(Cc1ccc(C2=NCCN2C(=O)O)cc1)C(=O)CCCCN(C1CC1)S(=O)(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.43
MAPK1 P28482 1/20 0.35
RORC P51449 1/20 0.35
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5111907 0.94 BDKRB1 (0.45) BDKRB1MAPK1RORCTP53TSHR
SCHEMBL5110833 0.92 BDKRB1 (0.46) BDKRB1MAPK1RORCBCHEACHE
SCHEMBL5126635 0.92 BDKRB1 (0.40) BDKRB1MAPK1RORCBCHEACHE
SCHEMBL5114361 0.90 BDKRB1 (0.50) BDKRB1BCHEACHETP53NR1H4
SCHEMBL5114588 0.88 BDKRB1 (0.56) BDKRB1MAPK1RORCPOLB
SCHEMBL5118078 0.87 BDKRB1 (0.43) BDKRB1BCHEACHENR1H4POLB
SCHEMBL5118176 0.86 BDKRB1 (0.47) BDKRB1MAPK1RORCTP53
SCHEMBL5125274 0.85 BDKRB1 (0.52) BDKRB1NR1H4
SCHEMBL6763988 0.85 BDKRB1 (0.43) BDKRB1MAPK1RORCTP53TSHR
SCHEMBL5124595 0.84 BDKRB1 (0.32) BDKRB1RORCNR1H4

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 1217/4885MAPK1 2381/4885RORC 129/4885

“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.