SCHEMBL5114434

SCHEMBL5114434

CN(Cc1ccc(C2=NCCN2C(=O)O)cc1)C(=O)/C=C/CN(C)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.45
P2RX7 Q99572 1/20 0.36
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
STAT3 P40763 1/20 0.35
PTPRS Q13332 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
MMP9 P14780 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPY5R Q15761 1/20 0.34
FFAR2 O15552 1/20 0.33
CCR4 P51679 1/20 0.33
MMP3 P08254 1/20 0.33
TP53 P04637 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
SCHEMBL5114451 1.00 BDKRB1 (0.45) BDKRB1P2RX7PTPN2PTPN1STAT3
SCHEMBL5114202 0.89 BDKRB1 (0.52) BDKRB1ALDH1A1TP53
SCHEMBL5117603 0.87 BDKRB1 (0.54) BDKRB1ALDH1A1TP53
SCHEMBL5114358 0.86 BDKRB1 (0.56) BDKRB1ALDH1A1TP53
SCHEMBL5114341 0.86 BDKRB1 (0.45) BDKRB1ALDH1A1HPGDTP53
SCHEMBL5111748 0.86 BDKRB1 (0.45) BDKRB1TP53
SCHEMBL5111735 0.86 BDKRB1 (0.45) BDKRB1TP53
SCHEMBL5125531 0.86 KMT2A (0.46) BDKRB1PTPN1ALDH1A1
SCHEMBL5114447 0.85 NPY5R (0.35) BDKRB1P2RX7PTPN2PTPN1STAT3
SCHEMBL5111180 0.84 BDKRB1 (0.43) BDKRB1KEAP1

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 1217/4885P2RX7 725/4885PTPN2 1198/4885

“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.