SCHEMBL994426

SCHEMBL994426

CC(C)(C)OC(=O)N1CC=C/C(=N/OCc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KLK7 P49862 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL994427 1.00 STS (0.40) STSPSEN1PSEN2APH1BNCSTN
SCHEMBL1250651 0.84 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1250648 0.84 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18484113 0.81 HSD11B1 (0.45) STSGAATHRBSMN1; SMN2GPR119
SCHEMBL994715 0.79 PREP (0.32) SMN1; SMN2GPR119MAPK1NAMPT
SCHEMBL994716 0.79 PREP (0.32) SMN1; SMN2GPR119MAPK1NAMPT
SCHEMBL27534101 0.77 ESR2 (0.47) STSGPR119JAK2JAK1MEN1
SCHEMBL2817602 0.75 ESR2 (0.43) STSKLK7GPR119JAK2JAK1
SCHEMBL994232 0.75 ESR2 (0.43) STSKLK7GPR119JAK2JAK1
SCHEMBL7433532 0.74 JAK2 (0.48) STSGPR119JAK2JAK1KDM4E

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-8178554-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2012-05-15 US disclosed
US-20110245254-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-06 US disclosed
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2011-09-01 US disclosed
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2011-01-27 US disclosed
US-7732610-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. (FR) 2010-06-08 US disclosed
US-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES NOVEXEL (FR) 2010-02-25 US disclosed
US-7638529-B2 anti-bacterial agents; staphylococci; coliform bacteria; 7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide; bridged bicyclic ureas or carbamates having bridgehead nitrogen AVENTIS PHARMA S.A. (FR) 2009-12-29 US disclosed
US-7612087-B2 Therapy for bacteria infections NOVEXEL (FR) 2009-11-03 US disclosed
US-20090215747-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES AVENTIS PHARMA S.A. (FR) 2009-08-27 US disclosed
US-7112592-B2 topical bactericides and disinfectants for surgical instruments; staphylococci; coliform bacteria; 7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide; bridged bicyclic ureas or carbamates having bridgehead nitrogen AVENTIS PHARMA S.A. (FR) 2006-09-26 US disclosed
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2006-08-24 US disclosed
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2006-03-02 US disclosed
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases AVENTIS PHARMA S.A. (FR) 2005-01-27 US 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 (8 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-20110245254-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL STS 44/4885PSEN1 419/4885PSEN2 1216/4885
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA STS 1214/4885PSEN1 4028/4885PSEN2 4287/4885
US-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL STS 44/4885PSEN1 419/4885PSEN2 1216/4885
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, SDHB, SDHA STS 724/4885PSEN1 3775/4885PSEN2 4208/4885
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA STS 1214/4885PSEN1 4028/4885PSEN2 4287/4885
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases BACE1, GAA, CEL STS 44/4885PSEN1 419/4885PSEN2 1216/4885
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA STS 1214/4885PSEN1 4028/4885PSEN2 4287/4885
US-20090215747-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL STS 44/4885PSEN1 419/4885PSEN2 1216/4885

“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.