SCHEMBL996113

SCHEMBL996113

COC(=O)C1CC(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
SCHEMBL996114 1.00 ALDH1A1 (0.59) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL10061040 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999746-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-06-04 US disclosed
EP-3840837-A1 ARGINASE INHIBITORS AND METHODS OF USE THEREOF Astrazeneca AB (SE) 2021-06-30 EP disclosed
US-20200299267-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-09-24 US disclosed
WO-2020113077-A9 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-08-13 WO disclosed
US-10717725-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-21 US disclosed
WO-2020038983-A1 ARGINASE INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2020-02-27 WO disclosed
US-20200055863-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-02-20 US disclosed
US-10428078-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-01 US disclosed
EP-3172211-B1 TRICYCLIC IMIDAZO-PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY LP-PLA2 GLAXOSMITHKLINE IP DEV LTD (GB) 2019-07-03 EP disclosed
US-20190112293-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-04-18 US disclosed
US-20090215747-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES AVENTIS PHARMA S.A. (FR) 2009-08-27 US disclosed
EP-2069354-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-06-17 EP disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
WO-2008024725-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 WO 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-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 (13 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-20200299267-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR4 ALDH1A1 2649/4885MMP2 4628/4885ANPEP 3429/4885
US-20200055863-A1 COMPOUNDS PLAAT2, PLA2G12A, PLA2G1B ALDH1A1 2222/4885MMP2 384/4885ANPEP 411/4885
US-20190112293-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR4 ALDH1A1 2649/4885MMP2 4628/4885ANPEP 3429/4885
US-10717725-B2 Pyrrolidine GPR40 modulators GPR55, GPR65, GPR4 ALDH1A1 2649/4885MMP2 4628/4885ANPEP 3429/4885
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 ALDH1A1 1140/4885MMP2 771/4885ANPEP 3114/4885
US-10428078-B2 Compounds PLAAT2, PLA2G12A, PLA2G1B ALDH1A1 2222/4885MMP2 384/4885ANPEP 411/4885
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-11999746-B2 Compounds PLAAT2, PLA2G12A, PLA2G1B ALDH1A1 2222/4885MMP2 384/4885ANPEP 411/4885
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-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases BACE1, GAA, CEL ALDH1A1 380/4885MMP2 33/4885ANPEP 235/4885
US-20090215747-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL ALDH1A1 380/4885MMP2 33/4885ANPEP 235/4885
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.