SCHEMBL6443447

SCHEMBL6443447

[O]C(=O)OCc1ccco1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
TDP1 Q9NUW8 3/20 0.54
MAPK1 P28482 2/20 0.54
LMNA P02545 1/20 0.52
POLB P06746 3/20 0.51
TSHR P16473 2/20 0.51
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALOX5 P09917 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL14991432 0.86 ALDH1A1 (0.72) ALDH1A1TDP1MAPK1LMNAPOLB
SCHEMBL6443452 0.84 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1LMNAPOLB
SCHEMBL11002356 0.82 ALDH1A1 (0.68) ALDH1A1TDP1MAPK1LMNAPOLB
SCHEMBL113906 0.82 ALDH1A1 (0.68) ALDH1A1TDP1MAPK1LMNAPOLB
SCHEMBL11002726 0.82 ALDH1A1 (0.68) ALDH1A1TDP1MAPK1LMNAPOLB
SCHEMBL3785783 0.82 ALDH1A1 (0.68) ALDH1A1TDP1MAPK1LMNAPOLB
SCHEMBL3291409 0.82 ALDH1A1 (0.68) ALDH1A1TDP1MAPK1LMNAPOLB
SCHEMBL190434 0.82 ALDH1A1 (1.00) ALDH1A1TDP1MAPK1LMNAPOLB
SCHEMBL11761636 0.81 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1LMNAPOLB
SCHEMBL28508230 0.81 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5936083-A BACTERICIDES Uclaf, Roussel (FR) 1999-08-10 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0282365-B1 1-DETHIA-2-THIA-CEPHALOSPORANIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-05-12 EP disclosed
EP-0153229-B1 1-DETHIA 2-THIA-CEPHALOSPORANIC ACID DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND THE COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-04-07 EP disclosed
EP-0214029-B1 1-DETHIA-2-THIA CEPHALOSPORANIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1992-03-25 EP disclosed
EP-0076528-B1 OXIME DERIVATIVES OF 3-ALKYLOXY OR 3-ALKYLTHIOMETHYL 7-AMINO-THIAZOLYLACETAMIDO-CEPHALOSPORANIC ACID AND THEIR PREPARATION ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed
EP-0104671-B1 OXIME DERIVATIVES OF 3-ALKYLOXY OR 3-ALKYLTHIOMETHYL-7-AMINO-THIAZOLYLACETAMIDO-CEPHALOSPORANIC ACID, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed
EP-0114128-B1 3-AMINO-2-OXO-AZETIDINE DERIVATIVES CONTAINING IN POSITION 1 A NITROGEN HETEROCYCLIC RADICAL, PROCESS FOR THEIR PREPARATION, THEIR USE AS THERAPEUTICAL AGENTS AND INTERMEDIATES FOR THEIR PREPARATION ROUSSEL-UCLAF (FR) 1989-03-22 EP disclosed
EP-0282365-A1 1-Dethia-2-thia-cephalosporanic-acid derivatives, process for their preparation, their use as therapeutic agents and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1988-09-14 EP disclosed
EP-0153229-A2 1-Dethia 2-thia-cephalosporanic acid derivatives, process and intermediates for their preparation, their use as therapeutic agents and the compositions containing them ROUSSEL-UCLAF (FR) 1985-08-28 EP disclosed
EP-0034536-B1 OXIME DERIVATIVES OF 3-ALKYLOXY- OR 3-ALKYLTHIOMETHYL 7-AMINO-THIAZOLYLACETAMIDO CEPHALOSPORANIC ACID, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1984-12-27 EP disclosed
EP-0114128-A1 3-Amino-2-oxo-azetidine derivatives containing in position 1 a nitrogen heterocyclic radical, process for their preparation, their use as therapeutical agents and intermediates for their preparation ROUSSEL-UCLAF (FR) 1984-07-25 EP disclosed
EP-0104671-A2 Oxime derivatives of 3-alkyloxy or 3-alkylthiomethyl-7-amino-thiazolylacetamido-cephalosporanic acid, their preparation, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1984-04-04 EP disclosed
EP-0076528-A2 Oxime derivatives of 3-alkyloxy or 3-alkylthiomethyl 7-amino-thiazolylacetamido-cephalosporanic acid and their preparation ROUSSEL-UCLAF (FR) 1983-04-13 EP disclosed
EP-0034536-A2 Oxime derivatives of 3-alkyloxy- or 3-alkylthiomethyl 7-amino-thiazolylacetamido cephalosporanic acid, their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1981-08-26 EP 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 (1 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 ALDH1A1 889/4885TDP1 758/4885MAPK1 4408/4885

“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.