SCHEMBL12119698

SCHEMBL12119698

CNC(=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 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
THRB P10828 1/20 0.37
HTT P42858 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
PTGER1 P34995 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RORC P51449 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL12119657 0.93 PTGER1 (0.38) HTTPTGER1RORCCXCR3MEN1
SCHEMBL12119625 0.92 EPHX2 (0.38) EPHX2NR1H4THRBHTTHDAC3
SCHEMBL12119705 0.91 EPHX2 (0.40) EPHX2NR1H4THRBHTTHDAC3
SCHEMBL13658799 0.90 NSD2 (0.39) EPHX2THRBHTTPTGER1MEN1
SCHEMBL12119341 0.90 KEAP1 (0.47) LMNASMN1; SMN2KEAP1NFE2L2ALDH1A1
SCHEMBL12119336 0.89 HTT (0.41) HTTPTGER1RORCMEN1KMT2A
SCHEMBL1110481 0.88 KEAP1 (0.46) THRBHTTHDAC3HDAC1HDAC2
SCHEMBL12119227 0.88 KEAP1 (0.42) EPHX2THRBHTTPTGER1MEN1
SCHEMBL12119197 0.87 KEAP1 (0.44) THRBPTGER1MEN1KMT2AKEAP1
SCHEMBL1110191 0.87 SMN1; SMN2 (0.46) HTTHDAC1NPSR1RORCLMNA

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.