SCHEMBL2846522

SCHEMBL2846522

CC(C)(C)OC(=O)N1CCN(C(=O)c2cn(C(=O)OC(C)(C)C)c3cc(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc23)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.41
HTR6 P50406 2/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.35
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35
TGM3 Q08188 1/20 0.35
TGFBR1 P36897 5/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NR1H2 P55055 1/20 0.34
SETD7 Q8WTS6 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
SCHEMBL2847740 0.90 STS (0.49) STSHTR6NPC1F13A1TGM2
SCHEMBL2851277 0.87 MAPT (0.45) STSHTR6MAPTMAPK1TGFBR1
SCHEMBL2845229 0.81 STS (0.41) STSHTR6MAPTMAPK1TGFBR1
SCHEMBL2848761 0.80 USP2 (0.34) STSMAPK1TGM2MEN1KMT2A
SCHEMBL2846663 0.79 STS (0.39) STSHTR6MAPTMAPK1TGFBR1
SCHEMBL2848113 0.78 STS (0.39) STSHTR6MAPTMAPK1TGFBR1
SCHEMBL2848110 0.78 STS (0.39) STSHTR6MAPTTGFBR1NR1H2
SCHEMBL2848821 0.78 NR1H2 (0.43) HTR6POLBNR1H2
SCHEMBL2846827 0.75 ALDH1A1 (0.44) MAPTNPC1MEN1KMT2APOLB
SCHEMBL2847693 0.75 NR1H2 (0.39) STSHTR6MAPTMAPK1TGFBR1

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
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
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 STS 334/4885HTR6 2713/4885MAPT 911/4885

“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.