SCHEMBL2852413

SCHEMBL2852413

CC(C)(C)OC(=O)CN(c1ccc2c(C(=O)Nc3ccccc3)cn(CC(=O)O)c2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.41
CPT1B Q92523 1/20 0.41
CACNA1H O95180 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
PDE10A Q9Y233 1/20 0.35
NPC1 O15118 1/20 0.34
GPR27 Q9NS67 1/20 0.34
TSHR P16473 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
SCHEMBL11948430 0.96 CPT1A (0.38) CPT1ACPT1BCACNA1HMEN1KMT2A
SCHEMBL11948442 0.90 CACNA1H (0.39) CPT1ACPT1BCACNA1HMEN1KMT2A
SCHEMBL2844185 0.90 CPT1A (0.40) CPT1ACPT1BMEN1KMT2AALDH1A1
SCHEMBL12119235 0.83 KDR (0.42) CACNA1HMEN1KMT2ALMNAMAPT
SCHEMBL2840591 0.81 MEN1 (0.42) CPT1ACPT1BMEN1KMT2AALDH1A1
SCHEMBL11948443 0.79 POLB (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL11948439 0.79 HSD17B10 (0.37) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2848213 0.79 RORC (0.37) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2841270 0.77 STS (0.33) KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL12119391 0.77 KEAP1 (0.43) CACNA1HMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232312-B2 Substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
EP-2125718-B1 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2010-09-15 EP disclosed
US-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 US disclosed
EP-2125718-A2 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-12-02 EP disclosed
WO-2008113760-A2 ARYLSULPHONYGLYCINE DERIVATIVES AS SUPPRESSORS OF THE INTERACTION OF GLYCOGEN PHOSPHORYLASE A WITH THE GL SUBUNIT OF GLYCOGEN-ASSOCIATED PROTEIN PHOSPHATASE 1 (PPL) FOR THE TREATMENT OF METABOLIC DISORDERS, PARTICULARY DIABETES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-25 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-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 CPT1A 633/4885CPT1B 1268/4885CACNA1H 3490/4885

“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.