SCHEMBL4411007

SCHEMBL4411007

COC(=O)[C@H](O)c1cc(F)cc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.55
CES1 P23141 4/20 0.55
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.38
EIF2AK3 Q9NZJ5 6/20 0.36
EIF2S1 P05198 5/20 0.36
MDM2 Q00987 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL4413136 1.00 CES2 (0.55) CES2CES1SLC6A3KMT2AEIF2AK3
SCHEMBL4411004 1.00 CES2 (0.55) CES2CES1SLC6A3KMT2AEIF2AK3
SCHEMBL4576817 0.85 CES2 (0.41) CES2CES1
SCHEMBL1533398 0.82 CES2 (0.56) CES2CES1KMT2A
SCHEMBL3369785 0.81 CES2 (0.45) CES2CES1SLC6A3KMT2AEIF2AK3
SCHEMBL3376899 0.81 CES2 (0.45) CES2CES1SLC6A3KMT2AEIF2AK3
SCHEMBL1566971 0.80 HDAC3 (0.46) KMT2ATSHR
SCHEMBL4412026 0.80 CES2 (0.41) CES2CES1SLC6A3KMT2AMDM2
SCHEMBL1566235 0.80 HDAC3 (0.46) KMT2ATSHR
SCHEMBL25940541 0.80 PTGS1 (0.46) CES2CES1SLC6A3KMT2ATSHR

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951466-B1 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2009-01-21 EP disclosed
US-7390801-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2008-06-24 US disclosed
US-20080058380-A1 ACYLAMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2008-03-06 US disclosed
US-7288659-B2 Acylaminothiazole derivatives, their preparation and therapeutic use SANOFI-AVENTIS (FR) 2007-10-30 US disclosed
US-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one THORSETT EUGENE D 2007-08-30 US disclosed
US-7153847-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2006-12-26 US disclosed
US-20060223761-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. (US) 2006-10-05 US disclosed
US-20060079499-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING 2006-04-13 US disclosed
US-20050272666-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING 2005-12-08 US disclosed
US-6951854-B1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2005-10-04 US disclosed
US-6191166-B1 ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2001-02-20 US disclosed
CN-1242007-A Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising such compounds, and methods of inhibiting beta amyloid peptide release and/or its synthesis using such compounds ELAND PHARMACEUTICAL CORP (US) 2000-01-19 CN disclosed
EP-0968198-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING $g(b)-AMYLOID PEPTIDE Elan Pharmaceuticals, Inc. (US) 2000-01-05 EP disclosed
WO-1999067220-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed
EP-0951466-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP disclosed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
WO-1998038177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING β-AMYLOID PEPTIDE ELAN PHARMACEUTICALS, INC. (US) 1998-09-03 WO disclosed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO 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 (5 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-20080058380-A1 ACYLAMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE PARK7, ACAT1, APP CES2 2673/4885CES1 2764/4885SLC6A3 971/4885
US-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one APP, BACE1, PSEN1 CES2 2192/4885CES1 1329/4885SLC6A3 1430/4885
US-20050272666-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 CES2 319/4885CES1 355/4885SLC6A3 4470/4885
US-20060223761-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP CES2 568/4885CES1 648/4885SLC6A3 1721/4885
US-20060079499-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 CES2 319/4885CES1 355/4885SLC6A3 4470/4885

“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.