Sugi Predict

Sugi Predict / Compounds / SCHEMBL995183

SCHEMBL995183

SCHEMBL995183

C=CCONC1C=CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.36
▸ PREP P48147 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ F13A1 P00488 2/20 0.32
▸ TGM2 P21980 2/20 0.32
▸ TGM1 P22735 2/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ PTPN2 P17706 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PTPN6 P29350 1/20 0.32
▸ EPHX1 P07099 1/20 0.32

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
SCHEMBL994668 0.78 STS (0.43) NAMPTKMT2AMEN1GPR119USP30
SCHEMBL994973 0.77 NAMPT (0.36) NR1H2NAMPTGPR119F13A1TGM2
SCHEMBL20022741 0.76 NAMPT (0.36) NR1H2NAMPTF13A1TGM2TGM1
SCHEMBL19752827 0.73 NAMPT (0.32) NR1H2NAMPTGPR119F13A1TGM2
SCHEMBL994411 0.72 MEN1 (0.46) KMT2AMEN1USP30EPHX1
SCHEMBL18215014 0.71 FAAH (0.38) NAMPTGPR119F13A1TGM2TGM1
SCHEMBL22072991 0.70 PREP (0.43) NR1H2PREPNAMPTKMT2AMEN1
SCHEMBL30242473 0.70 PREP (0.43) NR1H2PREPKMT2AMEN1GPR119
SCHEMBL1486976 0.70 PREP (0.43) NR1H2PREPKMT2AMEN1GPR119
SCHEMBL30242510 0.70 PREP (0.43) NR1H2PREPKMT2AMEN1GPR119

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 12 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-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 NR1H2 1584/4885PREP 42/4885NAMPT 629/4885
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA NR1H2 3310/4885PREP 881/4885NAMPT 396/4885
US-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL NR1H2 1584/4885PREP 42/4885NAMPT 629/4885
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, SDHB, SDHA NR1H2 3149/4885PREP 692/4885NAMPT 419/4885
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA NR1H2 3310/4885PREP 881/4885NAMPT 396/4885
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases BACE1, GAA, CEL NR1H2 1584/4885PREP 42/4885NAMPT 629/4885
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA NR1H2 3310/4885PREP 881/4885NAMPT 396/4885
US-20090215747-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL NR1H2 1584/4885PREP 42/4885NAMPT 629/4885

“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.