SCHEMBL2845554

SCHEMBL2845554

O=C(Nc1ccccc1)N1CCc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
NFKB1 P19838 3/20 0.58
RAB9A P51151 3/20 0.58
NFKB2 Q00653 3/20 0.58
RELA Q04206 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TP53 P04637 2/20 0.58
PKM P14618 2/20 0.58
ATM Q13315 1/20 0.56
LMNA P02545 3/20 0.50
HTR2C P28335 4/20 0.49
HTR2A P28223 2/20 0.49
KDM4E B2RXH2 2/20 0.48
ALOX5 P09917 1/20 0.46
MAPT P10636 2/20 0.45
MAOB P27338 1/20 0.45
CXCR1 P25024 1/20 0.45
CXCR2 P25025 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 2/20 0.45

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
SCHEMBL2848906 0.86 HTR2C (0.69) SMN1; SMN2LMNAHTR2CHTR2AMAPT
SCHEMBL2850765 0.83 NOTUM (0.43) NPC1RAB9AATMMAPTALDH1A1
SCHEMBL28299110 0.80 ALOX5 (0.46) NPC1RAB9ASMN1; SMN2ALOX5ALDH1A1
SCHEMBL2845808 0.79 NPC1 (0.63) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL3036883 0.77 HTR2C (0.76) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2851575 0.77 RAB9A (0.64) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL382910 0.74 NPC1 (1.00) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL256730 0.72 UCHL1 (0.53) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL28294144 0.72 HTR2A (0.44) SMN1; SMN2LMNAHTR2CHTR2AMAPT
SCHEMBL27666648 0.72 MAPK1 (0.46) NPC1RAB9AATMLMNAKDM4E

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 7 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

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 NPC1 3685/4885NFKB1 3804/4885RAB9A 1862/4885

“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.