SCHEMBL996114

SCHEMBL996114

COC(=O)[C@H]1C[C@@H](O)CN1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
MMP2 P08253 8/20 0.53
ANPEP P15144 4/20 0.53
ATM Q13315 1/20 0.50
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PEPD P12955 2/20 0.40
CYP3A4 P08684 4/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
XPNPEP1 Q9NQW7 1/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL996111 1.00 ALDH1A1 (0.59) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL10061040 1.00 ALDH1A1 (0.59) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL996113 1.00 ALDH1A1 (0.59) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL8401692 0.85 ALDH1A1 (0.59) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL8401652 0.85 ALDH1A1 (0.59) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL3783083 0.85 MMP2 (0.72) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL3783080 0.85 MMP2 (0.72) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL8401942 0.85 ALDH1A1 (0.59) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL3272061 0.85 ALDH1A1 (0.59) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL10793356 0.85 MMP2 (0.72) ALDH1A1MMP2ANPEPATMMEN1

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-8148540-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents ASTRAZENECA (SE) 2012-04-03 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-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-20070299108-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2007-12-27 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-20030199541-A1 Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2003-10-23 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 (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-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA ALDH1A1 2392/4885MMP2 2952/4885ANPEP 1674/4885
US-20070299108-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA ALDH1A1 2392/4885MMP2 2952/4885ANPEP 1674/4885
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, SDHB, SDHA ALDH1A1 1915/4885MMP2 2678/4885ANPEP 1539/4885
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA ALDH1A1 2392/4885MMP2 2952/4885ANPEP 1674/4885
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA ALDH1A1 2392/4885MMP2 2952/4885ANPEP 1674/4885
US-20030199541-A1 Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents AZI2, NISCH, DCTPP1 ALDH1A1 865/4885MMP2 3308/4885ANPEP 1401/4885

“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.