SCHEMBL12119705

SCHEMBL12119705

CN(C)C(=O)c1ccc(CNC(=O)c2cccc3c(N(CC(=O)OC(C)(C)C)S(=O)(=O)c4cc(Cl)cc(Cl)c4)cccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
THRB P10828 1/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER1 P34995 2/20 0.36
HSD11B1 P28845 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
NCOR2 Q9Y618 1/20 0.35
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HSD11B2 P80365 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL12119228 0.93 PTGER1 (0.38) HTTALDH1A1PTGER1KEAP1NFE2L2
SCHEMBL12119625 0.91 EPHX2 (0.38) EPHX2NR1H4THRBHTTPTGER1
SCHEMBL12119698 0.91 EPHX2 (0.38) EPHX2NR1H4THRBHTTALDH1A1
SCHEMBL13658799 0.90 NSD2 (0.39) EPHX2THRBHTTALDH1A1PTGER1
SCHEMBL12119341 0.89 KEAP1 (0.47) ALDH1A1SMN1; SMN2KEAP1NFE2L2LMNA
SCHEMBL1110310 0.89 KEAP1 (0.45) EPHX2NR1H4THRBHTTALDH1A1
SCHEMBL12119239 0.89 EPHX2 (0.38) EPHX2NR1H4ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL12119336 0.88 HTT (0.41) HTTALDH1A1PTGER1MEN1KMT2A
SCHEMBL12119227 0.88 KEAP1 (0.42) EPHX2THRBHTTPTGER1KEAP1
SCHEMBL12119197 0.86 KEAP1 (0.44) THRBALDH1A1PTGER1KEAP1NFE2L2

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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 WO 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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 EPHX2 1178/4885NR1H4 435/4885THRB 1741/4885

“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.