SCHEMBL3239334

SCHEMBL3239334

O=C(c1ccccc1)C(O)(C(=O)c1cccc(O)c1)c1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA6 P23280 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ PARP1 P09874 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.43
▸ EGLN2 Q96KS0 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MGLL Q99685 1/20 0.41
▸ CES1 P23141 2/20 0.41
▸ FASN P49327 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KIF11 P52732 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL7190673 0.90 CA12 (0.47) CA12CA1CA2CA6CA9
SCHEMBL562162 0.80 CES1 (0.54) CA12CA1CA2CA6CA9
SCHEMBL16516134 0.79 CES2 (0.55) CA12CA1CA2CA6CA9
SCHEMBL3220949 0.75 CES2 (0.55) CA12CA1CA2CA6CA9
SCHEMBL7196195 0.72 CES1 (0.50) CA12CA1CA2CA6CA9
SCHEMBL17978693 0.72 CYP2C9 (0.55) CA12CA1CA2CA6CA9
SCHEMBL17979123 0.72 CYP2C9 (0.55) CA12CA1CA2CA6CA9
SCHEMBL29631326 0.72 CYP2C9 (0.55) CA12CA1CA2CA6CA9
SCHEMBL17978820 0.72 CYP2C9 (0.55) CA12CA1CA2CA6CA9
SCHEMBL7940799 0.71 CA12 (0.57) CA12CA1CA2CA6CA9

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 CA12 2300/4885CA1 1112/4885CA2 2706/4885
US-20060014696-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 CA12 2300/4885CA1 1112/4885CA2 2706/4885
US-20050137128-A1 Modulators of ß-amyloid peptide aggregation APP, IAPP, BACE1 CA12 2760/4885CA1 1557/4885CA2 2575/4885
US-20050288222-A1 Methods for enhancing the bioavailability of a drug IAPP, APP, VIP CA12 2002/4885CA1 1526/4885CA2 3129/4885

“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.

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