SCHEMBL995331

SCHEMBL995331

O=C(OCc1ccccc1)C1CC(O)CN1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
FKBP1A P62942 9/20 0.47
ALDH1A1 P00352 2/20 0.45
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
HPGD P15428 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL995333 1.00 POLB (0.51) POLBFKBP1AALDH1A1FABP7FABP5
SCHEMBL995328 1.00 POLB (0.51) POLBFKBP1AALDH1A1FABP7FABP5
SCHEMBL2678864 0.90 POLB (0.61) POLBFKBP1AALDH1A1
SCHEMBL30564487 0.90 POLB (0.61) POLBFKBP1AALDH1A1
SCHEMBL7433978 0.90 POLB (0.61) POLBFKBP1AALDH1A1
SCHEMBL23485199 0.90 POLB (0.61) POLBFKBP1AALDH1A1
SCHEMBL7444515 0.89 POLB (0.52) POLBFKBP1AALDH1A1HPGDCHRM2
SCHEMBL7444519 0.89 POLB (0.52) POLBFKBP1AALDH1A1HPGDCHRM2
SCHEMBL8863324 0.88 PIK3CD (0.50) POLBFKBP1AALDH1A1
SCHEMBL10470153 0.88 PIK3CD (0.50) POLBFKBP1AALDH1A1

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 10 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-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-7612087-B2 Therapy for bacteria infections NOVEXEL (FR) 2009-11-03 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-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases AVENTIS PHARMA S.A. (FR) 2005-01-27 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-20110245254-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL POLB 2082/4885FKBP1A 2156/4885ALDH1A1 380/4885
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA POLB 317/4885FKBP1A 1382/4885ALDH1A1 2392/4885
US-20070299108-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA POLB 317/4885FKBP1A 1382/4885ALDH1A1 2392/4885
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases BACE1, GAA, CEL POLB 2082/4885FKBP1A 2156/4885ALDH1A1 380/4885
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA POLB 317/4885FKBP1A 1382/4885ALDH1A1 2392/4885
US-20030199541-A1 Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents AZI2, NISCH, DCTPP1 POLB 77/4885FKBP1A 979/4885ALDH1A1 865/4885

“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.