SCHEMBL13390809

SCHEMBL13390809

CC(C)(C)OC(=O)CN(c1ccc2c(ccn2-c2cnc(N3CC[S+]([O-])CC3)cn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.32
DGAT1 O75907 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL13390547 0.92 PKM (0.33) PKMHSD17B10TP53DGAT1GPR119
SCHEMBL13390634 0.90 ALDH1A1 (0.35) IRAK4PKMHSD17B10DGAT1ALDH1A1
SCHEMBL3298189 0.90 KEAP1 (0.33) ALDH1A1
SCHEMBL3295727 0.89 GPR119 (0.40) GPR119
SCHEMBL13390883 0.86 IRAK4 (0.34) IRAK4PKMHSD17B10TP53DGAT1
SCHEMBL13390635 0.86 IRAK4 (0.36) IRAK4PKMHSD17B10TP53DGAT1
SCHEMBL13390511 0.85 PKM (0.33) IRAK4PKMHSD17B10TP53DGAT1
SCHEMBL13390833 0.84 PKM (0.34) IRAK4PKMHSD17B10TP53DGAT1
SCHEMBL13390182 0.84 IRAK4 (0.33) IRAK4PKMHSD17B10TP53DGAT1
SCHEMBL13390357 0.84 DGAT1 (0.34) IRAK4PKMHSD17B10TP53DGAT1

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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US 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 IRAK4 2516/4885PKM 117/4885HSD17B10 2472/4885

“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.