SCHEMBL2848113

SCHEMBL2848113

CN(C(=O)OC(C)(C)C)C(=O)c1cn(C(=O)OC(C)(C)C)c2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.39
HTR6 P50406 4/20 0.36
NR1H2 P55055 1/20 0.36
SIRT6 Q8N6T7 2/20 0.35
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
PGR P06401 1/20 0.34
TGFBR1 P36897 1/20 0.34
LIMK2 P53671 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ACLY P53396 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL2846663 0.92 STS (0.39) STSHTR6NR1H2SIRT6PSEN1
SCHEMBL2845229 0.92 STS (0.41) STSHTR6NR1H2SIRT6PSEN1
SCHEMBL2847693 0.88 NR1H2 (0.39) STSHTR6NR1H2SIRT6PGR
SCHEMBL2844582 0.85 LIMK2 (0.39) STSNR1H2PGRTGFBR1LIMK2
SCHEMBL2847740 0.82 STS (0.49) STSHTR6TGFBR1
SCHEMBL2848110 0.82 STS (0.39) STSHTR6NR1H2SIRT6PSEN1
SCHEMBL2851277 0.81 MAPT (0.45) STSHTR6TGFBR1MAPTMAPK1
SCHEMBL2841274 0.79 HTR6 (0.33) STSHTR6PSEN1PSEN2APH1B
SCHEMBL2847691 0.79 MEN1 (0.39) STSNR1H2SIRT6PGRMAPT
SCHEMBL2846522 0.78 STS (0.41) STSHTR6NR1H2TGFBR1MAPT

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
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

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 2713/4885NR1H2 1558/4885

“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.