SCHEMBL3300747

SCHEMBL3300747

CC(=O)NCCNc1cnc(-n2ccc3cc(N(CC(=O)O)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)cn1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KEAP1 Q14145 10/20 0.33
NFE2L2 Q16236 10/20 0.33
HRH4 Q9H3N8 1/20 0.31
F2 P00734 1/20 0.31
PKM P14618 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
PLAU P00749 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
SCHEMBL3301519 0.91 KEAP1 (0.33) MAPTIRAK4KEAP1NFE2L2F2
SCHEMBL3298992 0.91 KDM4D (0.34) IRAK4KEAP1NFE2L2F2PLAU
SCHEMBL3295567 0.90 TMEM97 (0.33) MAPTIRAK4KEAP1NFE2L2F2
SCHEMBL13391255 0.90 PLAU (0.33) IRAK4KEAP1NFE2L2F2PLAU
SCHEMBL10317092 0.90 IRAK4 (0.33) MAPTTP53IRAK4KEAP1NFE2L2
SCHEMBL3298994 0.90 KEAP1 (0.34) MAPTIRAK4KEAP1NFE2L2HSP90AA1
SCHEMBL3034209 0.90 IRAK4 (0.33) MAPTTP53IRAK4RXFP1
Hydrochloric Acid SCHEMBL3300119 0.89 KEAP1 (0.34) MAPTIRAK4KEAP1NFE2L2F2
SCHEMBL3298173 0.87 KEAP1 (0.33) TP53IRAK4KEAP1NFE2L2PKM
SCHEMBL13390372 0.86 IRAK4 (0.34) MAPTTP53IRAK4PKMHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 MAPT 947/4885TP53 3881/4885IRAK4 2516/4885

“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.