SCHEMBL994715

SCHEMBL994715

C=CCO/N=C1\C=CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.32
ESR2 Q92731 1/20 0.32
TGM2 P21980 3/20 0.32
F13A1 P00488 2/20 0.32
TGM1 P22735 2/20 0.32
NR1H2 P55055 4/20 0.32
NAMPT P43490 1/20 0.32
MAPK1 P28482 1/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC1 Q13547 1/20 0.31
PTGS2 P35354 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL994716 1.00 PREP (0.32) PREPESR2TGM2F13A1TGM1
SCHEMBL1251172 0.82 CHRM2 (0.33) CHRM2CHRM1
SCHEMBL1251171 0.82 CHRM2 (0.33) CHRM2CHRM1
SCHEMBL994427 0.79 STS (0.40) NAMPTMAPK1SMN1; SMN2GPR119
SCHEMBL994410 0.79 NR1H2 (0.32) ESR2TGM2F13A1TGM1NR1H2
SCHEMBL994426 0.79 STS (0.40) NAMPTMAPK1SMN1; SMN2GPR119
SCHEMBL994409 0.79 NR1H2 (0.32) ESR2TGM2F13A1TGM1NR1H2
SCHEMBL27556840 0.74 ESR2 (0.41) ESR2TGM2F13A1TGM1NR1H2
SCHEMBL3867413 0.72 ESR2 (0.38) ESR2TGM2F13A1TGM1NR1H2
SCHEMBL10248518 0.72 USP2 (0.40) PREPESR2NR1H2MAPK1USP2

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 11 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-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-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 (7 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 PREP 42/4885ESR2 4493/4885TGM2 810/4885
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA PREP 881/4885ESR2 4508/4885TGM2 1950/4885
US-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL PREP 42/4885ESR2 4493/4885TGM2 810/4885
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA PREP 881/4885ESR2 4508/4885TGM2 1950/4885
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases BACE1, GAA, CEL PREP 42/4885ESR2 4493/4885TGM2 810/4885
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA PREP 881/4885ESR2 4508/4885TGM2 1950/4885
US-20090215747-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL PREP 42/4885ESR2 4493/4885TGM2 810/4885

“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.