SCHEMBL5111748

SCHEMBL5111748

CN(Cc1ccc(C2=NCCN2C(=O)O)cc1)C(=O)C=CCN(C)S(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.45
RAB9A P51151 2/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
DCTPP1 Q9H773 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL5111735 1.00 BDKRB1 (0.45) BDKRB1RAB9APTGDR2NR1H2NR1H3
SCHEMBL4030114 0.90 BDKRB1 (0.46) BDKRB1RAB9APTGDR2NR1H2NR1H3
SCHEMBL4030112 0.90 BDKRB1 (0.46) BDKRB1RAB9APTGDR2NR1H2NR1H3
SCHEMBL5118798 0.88 BDKRB1 (0.43) BDKRB1
SCHEMBL5114202 0.88 BDKRB1 (0.52) BDKRB1PTGDR2TP53KMT2AMEN1
SCHEMBL5114451 0.86 BDKRB1 (0.45) BDKRB1TP53
SCHEMBL5114434 0.86 BDKRB1 (0.45) BDKRB1TP53
SCHEMBL5114341 0.86 BDKRB1 (0.45) BDKRB1POLBTP53KMT2AMEN1
SCHEMBL5125531 0.85 KMT2A (0.46) BDKRB1KMT2AMEN1
SCHEMBL5117603 0.85 BDKRB1 (0.54) BDKRB1TP53KMT2AMEN1

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 1217/4885RAB9A 822/4885PTGDR2 517/4885

“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.