SCHEMBL3220949

SCHEMBL3220949

O=C(c1ccccc1)C(O)(C(=O)c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 1/20 0.50
CES1 P23141 3/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
TYR P14679 1/20 0.45
DRD1 P21728 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45

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
SCHEMBL16516134 0.96 CES2 (0.55) CES2MEN1KMT2ALMNAMAPT
SCHEMBL562162 0.86 CES1 (0.54) CES2MEN1KMT2ALMNAMAPT
SCHEMBL7868201 0.82 CES2 (0.52) CES2MEN1KMT2ALMNAMAPT
SCHEMBL8519062 0.81 CES2 (0.50) CES2MEN1KMT2ALMNAMAPT
SCHEMBL3230925 0.80 TSHR (0.43) CES2LMNARAB9ACES1SRC
SCHEMBL4896485 0.80 CES2 (0.54) CES2MEN1KMT2ALMNAMAPT
SCHEMBL16568774 0.79 ESR1 (0.52) CES2MEN1KMT2ALMNAMAPT
SCHEMBL7196195 0.78 CES1 (0.50) CES2MEN1KMT2ALMNAMAPT
SCHEMBL5427609 0.77 CES2 (0.50) CES2MEN1KMT2ALMNAMAPT
SCHEMBL14627381 0.76 ESR1 (0.57) CES2MEN1KMT2ALMNAMAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244486-A1 AB Modulating Peptides ALZYME PTY LTD. (AU) 2016-08-25 US disclosed
US-7803774-B2 Modulators of β-amyloid peptide aggregation PRAECIS PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
EP-1870419-A2 Modulators of beta-amyloid peptide aggregation comprising d-amino acids Praecis Pharmaceuticals Incorporated (US) 2007-12-26 EP disclosed
US-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PARAECIS PHARMACEUTICALS, INC. (US) 2007-10-25 US disclosed
EP-1161449-B1 MODULATORS OF BETA-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARM INC (US) 2007-07-04 EP disclosed
US-7175828-B2 peptidic structure, preferably based on beta -amyloid peptide, that is composed entirely of D-amino acids that can bind to natural beta amyloid peptides ( beta -AP), modulate the aggregation of natural beta -AP and/or inhibit the neurotoxicity of natural beta -APs PRAECIS PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-20060014696-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PRAECIS PHARMACEUTICALS, INC. (US) 2006-01-19 US disclosed
US-20050288222-A1 Methods for enhancing the bioavailability of a drug HAYWARD NEIL J 2005-12-29 US disclosed
EP-1586584-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids Praecis Pharmaceuticals Incorporated (US) 2005-10-19 EP disclosed
EP-0929574-B1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARM INC (US) 2005-06-29 EP disclosed
US-20050137128-A1 Modulators of ß-amyloid peptide aggregation PRAECIS PHARMACEUTICALS, INC. (US) 2005-06-23 US disclosed
US-6831066-B2 Amyloid precursor proteins with improved bioavailability; for treament of Alzheimer's disease PRAECIS PHARMACEUTICALS INCORPORATED 2004-12-14 US disclosed
US-6689752-B2 AMINO-TERMINAL MODIFYING GROUPS INCLUDE CYCLIC, HETEROCYCLIC, POLYCYCLIC AND BRANCHED ALKYLS, AND CARBOXY-TERMINAL MODIFYING GROUPS INCLUDE AN AMIDE, AN ALKYL AMIDE, AN ARYL AMIDE OR A HYDROXY; TREATING ALZHEIMER'S DISEASE PRAECIS PHARMACEUTICALS, INCORPORATED 2004-02-10 US disclosed
US-6610658-B1 Oligopeptides used as time release agents, for transporting drugs across the blood-brain barrier, medical diagnosis and therapy for amyloidosis such as Alzheimer's disease PRAECIS PHARMACEUTICALS INC. 2003-08-26 US disclosed
US-6303567-B1 FOR DIAGNOSIS AND THERAPY OF AMYLOIDOGENIC DISEASES SUCH AS ALZHEIMER'S DISEASE PRAECIS PHARMACEUTICALS, INC . 2001-10-16 US disclosed
US-6277826-B1 CONSISTING OF D-LEUCINE, D-PHENYLALANINE AND D-VALINE; PEPTIDE IS MODIFIED AT THE AMINO-TERMINUS, THE CARBOXY-TERMINUS, OR BOTH WITH AN AMIDE OR A HYDROXY GROUP PRAECIS PHARMACEUTICALS, INC. 2001-08-21 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 (4 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-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 CES2 4217/4885MEN1 1965/4885KMT2A 3610/4885
US-20060014696-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 CES2 4217/4885MEN1 1965/4885KMT2A 3610/4885
US-20050137128-A1 Modulators of ß-amyloid peptide aggregation APP, IAPP, BACE1 CES2 4171/4885MEN1 2810/4885KMT2A 3565/4885
US-20050288222-A1 Methods for enhancing the bioavailability of a drug IAPP, APP, VIP CES2 630/4885MEN1 1870/4885KMT2A 4485/4885

“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.