SCHEMBL4040824

SCHEMBL4040824

Cc1c(Cl)ccc(S(=O)(=O)CNCCCCC(=O)N(C)Cc2ccc(C#N)cc2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.48
NSD2 O96028 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
CCR1 P32246 1/20 0.33
LSS P48449 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 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
SCHEMBL4027527 0.85 BDKRB1 (0.46) BDKRB1ALDH1A1HTTRAB9A
SCHEMBL4027530 0.84 BDKRB1 (0.45) BDKRB1ALDH1A1HTTRAB9ANPC1
SCHEMBL4040827 0.83 BDKRB1 (0.66) BDKRB1NSD2POLBALDH1A1HTT
SCHEMBL4031286 0.82 BDKRB1 (0.73) BDKRB1
SCHEMBL4027744 0.82 BDKRB1 (0.43) BDKRB1ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL4027737 0.81 BDKRB1 (0.42) BDKRB1ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL6186876 0.81 BDKRB1 (0.42) BDKRB1ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL4032602 0.80 BDKRB1 (0.54) BDKRB1ALDH1A1HTTRAB9A
SCHEMBL4036660 0.80 BDKRB1 (0.74) BDKRB1
SCHEMBL5385750 0.77 CNR1 (0.35) BDKRB1POLBLSSLTB4R2SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521744-B1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS FOURNIER LAB SA (FR) 2009-04-01 EP disclosed
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 1217/4885NSD2 2965/4885POLB 1783/4885

“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.