SCHEMBL2844537

SCHEMBL2844537

CNC(=O)C(C)NC(=O)c1c[nH]c2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
TP53 P04637 5/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 8/20 0.39
TDP1 Q9NUW8 7/20 0.39
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR4A2 P43354 1/20 0.38
NR3C1 P04150 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
IMPDH2 P12268 1/20 0.37
ESR1 P03372 1/20 0.36

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
SCHEMBL13941444 0.82 HTR6 (0.50) HTR6MAPTNR4A2GAAIMPDH2
SCHEMBL2842004 0.80 NR4A2 (0.62) HTR6MAPTNR4A2GAA
SCHEMBL2845217 0.80 GPR27 (0.53) TP53
SCHEMBL2850634 0.79 TP53 (0.39) TP53NR4A2
SCHEMBL2844534 0.78 HTR6 (0.43) HTR6TP53POLBTDP1MAPT
SCHEMBL3152853 0.78 HTR6 (0.51) HTR6NR4A2IMPDH2ESR1
SCHEMBL2847994 0.75 ALOX5 (0.41) NR4A2
SCHEMBL11948437 0.75 NR4A2 (0.33) USP2HSD17B10POLBMAPTNR4A2
SCHEMBL2850745 0.72 PTPRA (0.45) POLBMAPTSMN1; SMN2GAA
SCHEMBL14088883 0.70 ROCK1 (0.41) MAPTNR4A2

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 8 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
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 HTR6 2713/4885TP53 4340/4885USP2 1666/4885

“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.