SCHEMBL5126502

SCHEMBL5126502

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 1/20 0.34
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
GRM4 Q14833 1/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 2/20 0.32
HDAC3 O15379 3/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC8 Q9BY41 3/20 0.31
NCOR2 Q9Y618 2/20 0.31
LMNA P02545 2/20 0.31
NR3C2 P08235 1/20 0.31
HTT P42858 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL5126340 0.94 SMN1; SMN2 (0.30) LMNA
SCHEMBL5119112 0.91 SMN1; SMN2 (0.31) OPRM1OPRK1LMNA
SCHEMBL5114370 0.91 TSHR (0.31) KMT2AALDH1A1MEN1HDAC3HDAC1
SCHEMBL5117882 0.91 CNR1 (0.34) ALDH1A1LMNA
SCHEMBL5119728 0.90 LMNA (0.31) LMNA
SCHEMBL5118642 0.88 SMN1; SMN2 (0.32) KMT2AOPRM1OPRK1MEN1LMNA
SCHEMBL5111226 0.87 KMT2A (0.32) KMT2AALDH1A1OPRM1OPRK1GRM4
SCHEMBL5114099 0.87 SLC2A1 (0.37) KMT2AALDH1A1TP53MEN1CACNA1G
SCHEMBL6761755 0.87 KMT2A (0.37) KMT2AALDH1A1OPRM1OPRK1GRM4
SCHEMBL5126648 0.86 EPHX2 (0.31) KMT2AOPRM1OPRK1TP53MEN1

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.