SCHEMBL891523

SCHEMBL891523

[O]C(=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.71
GAA P10253 3/20 0.59
MAPT P10636 1/20 0.59
ALDH1A1 P00352 2/20 0.59
ATM Q13315 3/20 0.55
CDC25B P30305 2/20 0.55
NR4A1 P22736 1/20 0.53
TDP1 Q9NUW8 2/20 0.50
CDC25A P30304 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SRD5A2 P31213 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HSP90AA1 P07900 1/20 0.48
PKM P14618 1/20 0.48
CCR6 P51684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TLR9 Q9NR96 1/20 0.48
POLB P06746 1/20 0.48
CYP2C8 P10632 1/20 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
SCHEMBL700595 0.90 AKR1C3 (0.85) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL29447165 0.90 AKR1C3 (0.85) AKR1C3GAAMAPTALDH1A1ATM
Fluoride SCHEMBL28319246 0.87 AKR1C3 (0.81) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL28883310 0.87 AKR1C3 (0.81) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL29163962 0.85 AKR1C3 (0.77) AKR1C3GAAMAPTALDH1A1ATM
Ethylene SCHEMBL27279241 0.85 AKR1C3 (0.77) AKR1C3GAAMAPTALDH1A1ATM
2-Benzoylbenzoic Acid SCHEMBL27701515 0.84 AKR1C3 (0.91) AKR1C3GAAMAPTALDH1A1ATM
Hydrogen Peroxide SCHEMBL17544681 0.84 AKR1C3 (0.68) AKR1C3GAAMAPTALDH1A1ATM
2-Benzoylbenzoic Acid SCHEMBL30296847 0.83 AKR1C3 (1.00) AKR1C3GAAMAPTALDH1A1ATM
2-Benzoylbenzoic Acid SCHEMBL76332 0.83 AKR1C3 (1.00) AKR1C3GAAMAPTALDH1A1ATM

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1810971-B1 Substituted azetidinone compounds, formulations and uses thereof for the treatment of hypercholesterolemia MERCK SHARP & DOHME (US) 2013-12-25 EP claimed
EP-1606287-B1 SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA MERCK SHARP & DOHME (US) 2013-10-02 EP claimed
US-8383810-B2 Process for the synthesis of azetidinones MERCK SHARP & DOHME CORP. (US) 2013-02-26 US claimed
EP-1831162-B1 PROCESS FOR THE SYNTHESIS OF AZETIDINONES MERCK SHARP & DOHME (US) 2012-10-31 EP claimed
US-20120083601-A1 PROCESS FOR THE SYNTHESIS OF AZETIDINONES SCHERING-PLOUGH CORPORATION (US) 2012-04-05 US claimed
US-20110144327-A1 PROCESS FOR THE SYNTHESIS OF AZETIDINONES SCHERING CORPORATION (US) 2011-06-16 US claimed
US-7741289-B2 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2010-06-22 US claimed
US-7732413-B2 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2010-06-08 US claimed
EP-1601669-B1 SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA SCHERING CORP (US) 2008-12-24 EP claimed
US-7459442-B2 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2008-12-02 US claimed
US-20060135755-A1 Process for the synthesis of azetidinones SCHERING CORPORATION 2006-06-22 US claimed
EP-1606287-A1 SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA SCHERING CORPORATION (US) 2005-12-21 EP claimed
EP-1601668-A1 SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA SCHERING CORPORATION (US) 2005-12-07 EP claimed
EP-1601669-A1 SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA SCHERING CORPORATION (US) 2005-12-07 EP claimed
US-20040198700-A1 Administering to a patient an azetidinone compound containing at least 3 phenyl rings fo rprevention of a vascular condition, diabetes, obesity, stroke, lowering a concentration of a sterol or stanol in plasma of a mammal, preventing demyelination or treating Alzheimer's disease SCHERING CORPORATION 2004-10-07 US claimed
WO-2004081002-A1 SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA SCHERING CORPORATION (US) 2004-09-23 WO claimed
WO-2004081003-A1 SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLETEROLEMIA SCHERING CORPORATION (US) 2004-09-23 WO claimed
WO-2004081004-A1 SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA SCHERING CORPORATION (US) 2004-09-23 WO claimed
US-20040180861-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION 2004-09-16 US claimed
US-20040180860-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION 2004-09-16 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20120083601-A1 PROCESS FOR THE SYNTHESIS OF AZETIDINONES LSS, ASNS, CYP51A1 AKR1C3 1210/4885GAA 687/4885MAPT 3548/4885
US-20110144327-A1 PROCESS FOR THE SYNTHESIS OF AZETIDINONES LSS, ASNS, CYP51A1 AKR1C3 1210/4885GAA 687/4885MAPT 3548/4885
US-20040198700-A1 Administering to a patient an azetidinone compound containing at least 3 phenyl rings fo rprevention of a vascular condition, diabetes, obesity, stroke, lowering a concentration of a sterol or stanol in plasma of a mammal, preventing demyelination or treating Alzheimer's disease APOB, CYP46A1, NR1H3 AKR1C3 144/4885GAA 1484/4885MAPT 840/4885
US-20040180860-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof APOB, NPC1L1, CYP46A1 AKR1C3 342/4885GAA 1002/4885MAPT 3020/4885
US-20040180861-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof APOB, NPC1L1, CYP46A1 AKR1C3 342/4885GAA 1002/4885MAPT 3020/4885
US-20060135755-A1 Process for the synthesis of azetidinones LSS, ASNS, CYP51A1 AKR1C3 1210/4885GAA 687/4885MAPT 3548/4885

“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.