SCHEMBL5114447

SCHEMBL5114447

CN(CC=CC(=O)CNCc1ccc(C2=NCCN2C(=O)O)cc1)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.35
P2RX7 Q99572 1/20 0.35
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
MMP3 P08254 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
FLT3 P36888 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
BDKRB1 P46663 1/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
MMP9 P14780 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
STAT3 P40763 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
SCHEMBL5114451 0.85 BDKRB1 (0.45) NPY5RP2RX7MMP1MMP2MMP8
SCHEMBL5110791 0.83 FLT3 (0.36) NPY5RP2RX7MMP1MMP2MMP8
SCHEMBL5117608 0.74 SMN1; SMN2 (0.30) BDKRB1
SCHEMBL5110784 0.74 BDKRB1 (0.43) P2RX7HTR2AHTR2CFLT3BDKRB1
SCHEMBL5114346 0.74 KDM2B (0.31) BDKRB1
SCHEMBL5114202 0.74 BDKRB1 (0.52) ALDH1A1BDKRB1
SCHEMBL5125541 0.73 ALDH1A1 (0.34) ALDH1A1FLT3
SCHEMBL5111192 0.73 MAPT (0.31)
SCHEMBL5124610 0.73 KMT2A (0.30)
SCHEMBL5125079 0.73 BDKRB1 (0.52) P2RX7BDKRB1PTPN2PTPN1STAT3

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 NPY5R 3246/4885P2RX7 725/4885MMP1 3448/4885

“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.