SCHEMBL2840447

SCHEMBL2840447

CC(C)(C)OC(=O)CN(c1ccc2c(C(=O)N(Cc3ccccc3)C(=O)OC(C)(C)C)cn(C(=O)OC(C)(C)C)c2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STAT5B P51692 1/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
PGR P06401 1/20 0.33
MCL1 Q07820 3/20 0.32
BCL2L1 Q07817 2/20 0.32
PTPN1 P18031 1/20 0.32
CACNA1H O95180 3/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL2848214 0.89 TSHR (0.34) STAT5BCACNA1HTSHR
SCHEMBL2845798 0.88 HTR6 (0.33)
SCHEMBL2841274 0.87 HTR6 (0.33)
SCHEMBL2840538 0.86 HTR6 (0.34) TSHR
SCHEMBL2844582 0.82 LIMK2 (0.39) PGR
SCHEMBL2840443 0.82 CACNA1H (0.35) KEAP1NFE2L2MCL1CACNA1HTSHR
SCHEMBL2841270 0.82 STS (0.33) KMT2ATSHR
SCHEMBL11957191 0.81
SCHEMBL2845622 0.80 STS (0.40) MEN1KMT2ATSHR
SCHEMBL11956878 0.80 PTGER1 (0.30)

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 10 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
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
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
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
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
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 STAT5B 3192/4885MEN1 4541/4885KMT2A 2413/4885

“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.