SCHEMBL2846840

SCHEMBL2846840

CC(C)(C)OC(=O)n1cc(C(=O)N2CCOCC2)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
IDE P14735 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.47
SLC6A5 Q9Y345 9/20 0.47
SLC6A9 P48067 7/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.47
PAX8 Q06710 1/20 0.46

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
SCHEMBL2840314 0.92 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1LMNAMAPTIDE
SCHEMBL2846827 0.85 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL2847571 0.83 USP2 (0.45) SMN1; SMN2LMNAKDM4EGAA
SCHEMBL2845690 0.80 L3MBTL1 (0.47) SMN1; SMN2ALDH1A1LMNAMAPTNPC1
SCHEMBL2842431 0.78 MAPT (0.40) SMN1; SMN2ALDH1A1LMNAMAPTNPC1
SCHEMBL2842447 0.78 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1LMNAMAPTNPC1
SCHEMBL2842443 0.77 MAPT (0.39) SMN1; SMN2ALDH1A1LMNAMAPTRAB9A
SCHEMBL2843219 0.75 NR1H2 (0.47) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL7465747 0.75 L3MBTL1 (0.44) SMN1; SMN2ALDH1A1LMNAMAPTNPC1
SCHEMBL2846671 0.74 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1LMNAMAPTL3MBTL1

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
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
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 SMN1; SMN2 2730/4885ALDH1A1 1212/4885LMNA 1193/4885

“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.