SCHEMBL5114344

SCHEMBL5114344

CN(Cc1ccc(C2=NCCN2C(=O)O)cc1)C(=O)/C=C/CNCS(=O)(=O)c1ccccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.39
KDM2B Q8NHM5 1/20 0.34
TACR1 P25103 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL5114351 1.00 BDKRB1 (0.39) BDKRB1KDM2BTACR1MEN1KMT2A
SCHEMBL5114211 0.88 BDKRB1 (0.40) BDKRB1KDM2BMEN1KMT2AHRH3
SCHEMBL5114204 0.88 BDKRB1 (0.40) BDKRB1KDM2BMEN1KMT2AHRH3
SCHEMBL5125543 0.86 MEN1 (0.36) BDKRB1TACR1MEN1KMT2A
SCHEMBL5125535 0.86 MEN1 (0.36) BDKRB1TACR1MEN1KMT2A
SCHEMBL5114346 0.85 KDM2B (0.31) BDKRB1KDM2BMEN1KMT2A
SCHEMBL5117612 0.85 BDKRB1 (0.40) BDKRB1
SCHEMBL5117604 0.85 BDKRB1 (0.40) BDKRB1
SCHEMBL5114341 0.85 BDKRB1 (0.45) BDKRB1KDM2BTACR1MEN1KMT2A
SCHEMBL5114368 0.85 BDKRB1 (0.43) BDKRB1

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 1217/4885KDM2B 2970/4885TACR1 847/4885

“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.