SCHEMBL5124189

SCHEMBL5124189

CN(Cc1ccc(C2=NCCN2C(=O)O)cc1)C(=O)/C=C/CN(C)S(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.51
TP53 P04637 1/20 0.37
NR1H2 P55055 2/20 0.33
TACR3 P29371 2/20 0.32
TACR2 P21452 1/20 0.32
TACR1 P25103 1/20 0.32
LMNA P02545 2/20 0.32
NR1H3 Q13133 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
KMT2A Q03164 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
SCHEMBL5114584 0.92 BDKRB1 (0.53) BDKRB1TP53LMNA
SCHEMBL5111639 0.89 BDKRB1 (0.50) BDKRB1TP53
SCHEMBL5114202 0.89 BDKRB1 (0.52) BDKRB1TP53LMNAPTGDR2KMT2A
SCHEMBL5118796 0.88 BDKRB1 (0.52) BDKRB1TP53LMNA
SCHEMBL5125814 0.88 BDKRB1 (0.48) BDKRB1TP53PTGDR2
SCHEMBL5125819 0.88 BDKRB1 (0.48) BDKRB1TP53PTGDR2
SCHEMBL5111518 0.88 BDKRB1 (0.59) BDKRB1TP53LMNAKMT2A
SCHEMBL5114098 0.87 BDKRB1 (0.53) BDKRB1TP53LMNAKMT2A
SCHEMBL5118931 0.87 BDKRB1 (0.69) BDKRB1TP53LMNAKMT2A
SCHEMBL5117603 0.86 BDKRB1 (0.54) BDKRB1TP53LMNAKMT2A

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 1217/4885TP53 2886/4885NR1H2 91/4885

“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.