SCHEMBL2844579

SCHEMBL2844579

CC(C)(C)OC(=O)n1cc(C(=O)NC(=O)OC(C)(C)CCc2ccccc2)c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.37
SERPINE1 P05121 3/20 0.36
PGR P06401 2/20 0.35
ACLY P53396 1/20 0.35
PTPN1 P18031 1/20 0.34
STS P08842 1/20 0.34
TGFBR1 P36897 1/20 0.34
IMPDH2 P12268 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL2840443 0.83 CACNA1H (0.35) ACHE
SCHEMBL2848110 0.81 STS (0.39) NR1H2PGRSTSTGFBR1
SCHEMBL2846521 0.81 ACHE (0.36) NR1H2ACHE
SCHEMBL2844582 0.80 LIMK2 (0.39) NR1H2SERPINE1PGRACLYSTS
SCHEMBL2847691 0.79 MEN1 (0.39) NR1H2PGRACLYSTS
SCHEMBL2845229 0.78 STS (0.41) NR1H2PGRACLYSTSTGFBR1
SCHEMBL2845669 0.78 ITGA4 (0.39) ACHE
SCHEMBL2847693 0.78 NR1H2 (0.39) NR1H2SERPINE1PGRACLYSTS
SCHEMBL2846663 0.77 STS (0.39) NR1H2PGRACLYSTSTGFBR1
SCHEMBL2848113 0.76 STS (0.39) NR1H2PGRACLYSTSTGFBR1

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 NR1H2 1558/4885SERPINE1 1571/4885PGR 1871/4885

“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.