SCHEMBL7126670

SCHEMBL7126670

O=C(Nc1ccccc1Cc1ccc(C(=O)O)c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYGL P06737 11/20 0.63
PYGM P11217 2/20 0.63
MAPT P10636 4/20 0.60
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
THRA P10827 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.54
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
GAA P10253 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL7118351 0.90 PYGL (0.54) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL7118343 0.87 ABCG2 (0.54) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL4950322 0.85 AKR1C4 (0.69) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL29472407 0.85 AKR1C4 (0.69) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL7116140 0.82 PYGL (0.66) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL14418381 0.81 AKR1C4 (0.64) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL4092971 0.81 KMT2A (0.71) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL7657282 0.81 PYGL (0.55) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL14413319 0.80 LTC4S (0.65) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL2271993 0.80 ALDH1A1 (0.61) PYGLPYGMMAPTALDH1A1MEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030186944-A1 Such as 4-(2-(3-dimethylaminobenzoylamino)phenoxy)phthalic acid for treatment/prevention of diabetes; for inhibiting liver glycogen phosphorylase; dietetics KRISTIANSEN MARIT (DK) 2003-10-02 US claimed
US-6590118-B1 Used in treatment of and/or prevention of diabetes, especially non-insulin dependent diabetes (Type 2 diabetes) NOVO NORDISK A/S (DK) 2003-07-08 US claimed
US-20030186944-A1 Such as 4-(2-(3-dimethylaminobenzoylamino)phenoxy)phthalic acid for treatment/prevention of diabetes; for inhibiting liver glycogen phosphorylase; dietetics KRISTIANSEN MARIT (DK) 2003-10-02 US disclosed
US-6593348-B2 N-substituted(+)-(3R,4R)-dimethyl-4-(3-hydroxyphenyl)piperidine compounds; opiod receptors RESEARCH TRIANGLE INSTITUTE 2003-07-15 US disclosed
US-6590118-B1 Used in treatment of and/or prevention of diabetes, especially non-insulin dependent diabetes (Type 2 diabetes) NOVO NORDISK A/S (DK) 2003-07-08 US disclosed
US-20020193602-A1 Novel opiate compounds, methods of making and methods of use RESEARCH TRIANGLE INSTITUTE (US) 2002-12-19 US disclosed
US-20020169324-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RESEARCH TRIANGLE INSTITUTE (US) 2002-11-14 US disclosed
US-20020165396-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RESEARCH TRIANGLE INSTITUTE (US) 2002-11-07 US disclosed
EP-1061919-A4 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RES TRIANGLE INST (US) 2002-09-04 EP disclosed
EP-1220832-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2002-07-10 EP disclosed
WO-2001023347-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2001-04-05 WO disclosed
EP-1061919-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE Carrol, Frank Ivy (US) 2000-12-27 EP disclosed
WO-1999045925-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RESEARCH TRIANGLE INSTITUTE (US) 1999-09-16 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 (4 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-20020169324-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE OPRK1, OPRM1, OPRL1 PYGL 674/4885PYGM 1636/4885MAPT 2716/4885
US-20020193602-A1 Novel opiate compounds, methods of making and methods of use OPRK1, OPRM1, OPRL1 PYGL 674/4885PYGM 1636/4885MAPT 2716/4885
US-20020165396-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE OPRK1, OPRM1, OPRL1 PYGL 674/4885PYGM 1636/4885MAPT 2716/4885
US-20030186944-A1 Such as 4-(2-(3-dimethylaminobenzoylamino)phenoxy)phthalic acid for treatment/prevention of diabetes; for inhibiting liver glycogen phosphorylase; dietetics PYGL, GYS2, PYGM PYGL 1/4885PYGM 3/4885MAPT 2042/4885

“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.