SCHEMBL2841994

SCHEMBL2841994

O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 3/20 0.57
TNFSF11 O14788 2/20 0.57
TNF P01375 2/20 0.57
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.52
IDE P14735 1/20 0.52
KMT2A Q03164 1/20 0.51
KDM1A O60341 1/20 0.50
PAX8 Q06710 1/20 0.50
AKR1C3 P42330 1/20 0.49
SLC6A9 P48067 2/20 0.48
SLC6A5 Q9Y345 2/20 0.48

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
SCHEMBL2848836 0.80 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1TNFSF11TNFLMNA
SCHEMBL2851517 0.80 TNFSF11 (0.51) ALDH1A1TNFSF11TNFKDM4ELMNA
SCHEMBL27228014 0.78 KDM4E (0.53) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL30860970 0.78 KDM4E (0.53) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL2843383 0.78 PTPRA (0.58) ALDH1A1MAPTTDP1KMT2A
SCHEMBL9760661 0.77 MAPT (0.77) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL2074905 0.77 POLB (0.60) ALDH1A1TNFSF11TNFKDM4ELMNA
SCHEMBL20181880 0.77 ALDH1A1 (0.75) ALDH1A1KDM4ELMNARAB9AKMT2A
SCHEMBL4793845 0.76 TNFSF11 (0.73) TNFSF11TNFL3MBTL1KDM1A
SCHEMBL3836058 0.76 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT

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 1212/4885TNFSF11 4866/4885

“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.