SCHEMBL5111226

SCHEMBL5111226

O=C(CNCc1ccc(C2=NCCN2C(=O)O)cc1)COCCNCS(=O)(=O)c1ccccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
GRM4 Q14833 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
EPHX2 P34913 1/20 0.31
BDKRB1 P46663 1/20 0.30
LMNA P02545 2/20 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
SCHEMBL5118027 0.94 BDKRB1 (0.35) BDKRB1
SCHEMBL5118238 0.93 BDKRB1 (0.37) KMT2AMEN1BDKRB1LMNA
SCHEMBL5115144 0.91 BDKRB1 (0.33) ALDH1A1BDKRB1
SCHEMBL5118126 0.90 EPHX2 (0.32) EPHX2
SCHEMBL5118507 0.89 BDKRB1 (0.36) BDKRB1
SCHEMBL5125649 0.88 BDKRB1 (0.38) KMT2AALDH1A1TP53MEN1BDKRB1
SCHEMBL5119431 0.88 LMNA (0.40) BDKRB1LMNA
SCHEMBL5110428 0.88 LMNA (0.40) KMT2ATP53MEN1LMNA
SCHEMBL5119367 0.88
SCHEMBL5126502 0.87 KMT2A (0.34) KMT2AALDH1A1OPRM1OPRK1GRM4

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 KMT2A 3755/4885ALDH1A1 73/4885OPRM1 602/4885

“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.