Sugi Predict

Sugi Predict / Compounds / SCHEMBL994409

SCHEMBL994409

SCHEMBL994409

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ TGM2 P21980 4/20 0.32
▸ F13A1 P00488 3/20 0.32
▸ TGM1 P22735 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ADORA1 P30542 2/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ USP2 O75604 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL994410 1.00 NR1H2 (0.32) NR1H2HDAC1TGM2F13A1TGM1
SCHEMBL1248465 0.84 CHRM2 (0.32) ALDH1A1KDM4E
SCHEMBL994716 0.79 PREP (0.32) NR1H2HDAC1TGM2F13A1TGM1
SCHEMBL994715 0.79 PREP (0.32) NR1H2HDAC1TGM2F13A1TGM1
SCHEMBL27556840 0.72 ESR2 (0.41) NR1H2TGM2F13A1TGM1ALDH1A1
SCHEMBL22720572 0.72 NR1H2 (0.43) NR1H2HDAC1ALDH1A1KDM4EMAPT
SCHEMBL5186370 0.71 HDAC1 (0.35) NR1H2HDAC1TGM2F13A1TGM1
SCHEMBL5186363 0.71 HDAC1 (0.35) NR1H2HDAC1TGM2F13A1TGM1
SCHEMBL3867413 0.71 ESR2 (0.38) NR1H2TGM2F13A1TGM1ALDH1A1
SCHEMBL5187314 0.70 ELANE (0.36) NR1H2HDAC1TGM2F13A1TGM1

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 1584/4885HDAC1 277/4885TGM2 810/4885
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA NR1H2 3310/4885HDAC1 555/4885TGM2 1950/4885
US-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL NR1H2 1584/4885HDAC1 277/4885TGM2 810/4885
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, SDHB, SDHA NR1H2 3149/4885HDAC1 713/4885TGM2 1997/4885
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA NR1H2 3310/4885HDAC1 555/4885TGM2 1950/4885
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases BACE1, GAA, CEL NR1H2 1584/4885HDAC1 277/4885TGM2 810/4885
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA NR1H2 3310/4885HDAC1 555/4885TGM2 1950/4885
US-20090215747-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL NR1H2 1584/4885HDAC1 277/4885TGM2 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.