SCHEMBL527857

SCHEMBL527857

C[C@@H](OC(=O)[C@@H]1CCCN1)[C@H](N)C(=O)OC[C@H](N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.35
PRCP P42785 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CTSC P53634 1/20 0.30

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
SCHEMBL6520768 0.85 TLR2 (0.31) TLR2
SCHEMBL1887227 0.84 NOS2 (0.40) TLR2PRCPCYP1A2CYP3A4CYP2D6
Alanine SCHEMBL5970554 0.83 TLR2 (0.36) TLR2PRCPCYP1A2CYP3A4CYP2D6
Leucine SCHEMBL6463328 0.83 SLC7A5 (0.44) TLR2PRCPCYP1A2CYP3A4CYP2D6
SCHEMBL2043828 0.83 NOS2 (0.37) TLR2PRCPCYP1A2CYP3A4CYP2D6
SCHEMBL8815155 0.82 TLR2 (0.31) TLR2MEN1KMT2A
Proline SCHEMBL8582773 0.81 TLR2 (0.34) TLR2PRCPDPP7
Proline SCHEMBL7043240 0.81 NOS2 (0.33) PRCPCYP1A2CYP3A4CYP2D6CYP2C19
Glutamine SCHEMBL1304983 0.80 KMT2A (0.43) PRCPCYP1A2CYP3A4CYP2D6CYP2C19
Proline SCHEMBL140698 0.79 TLR2 (0.34) TLR2PRCPCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021143958-A1 METHOD FOR SEPARATION OF SPERM WITH UNDAMAGED INTACT HEADS FROM SPERM WITH DAMAGED HEADS AND SOMATIC CELLS BIOTECHNOLOGICKY USTAV AV CR, V. V. I. (CZ) 2021-07-22 WO disclosed
WO-2017174783-A1 IDENTIFICATION OF CANDIDATE ANTICANCER DRUGS BASED ON RETINOBLASTOMA PHOSPHORYLATION AT SER249/THR252 UNIVERSITAT POMPEU FABRA (ES) 2017-10-12 WO disclosed
US-8877896-B2 Compositions, methods and kits for modeling, diagnosing, and treating complement disorders TUFTS UNIVERSITY (US) 2014-11-04 US disclosed
US-20130149373-A1 Compositions, methods and kits for modeling, diagnosing, and treating complement disorders TUFTS UNIVERSITY (US) 2013-06-13 US disclosed
EP-2566498-A1 COMPOUNDS, MEDICAMENTS AND METHODS OF TREATMENT FOR HELICOBACTER PYLORI INFECTION. Karolinska Institutet Innovations AB (SE) 2013-03-13 EP disclosed
WO-2012016162-A2 COMPOSITIONS, METHODS AND KITS FOR MODELING, DIAGNOSING, AND TREATING COMPLEMENT DISORDERS TUFTS UNIVERSITY (US) 2012-02-02 WO disclosed
WO-2011139226-A1 COMPOUNDS, MEDICAMENTS AND METHODS OF TREATMENT FOR HELICOBACTER PYLORI INFECTION. KAROLINSKA INSTITUTET INNOVATIONS AB (SE) 2011-11-10 WO disclosed
US-20100311726-A1 REDUCTION OF BETA-AMYLOID LEVELS BY TREATMENT WITH THE SMALL MOLECULE DIFFERENTIATION-INDUCING FACTOR NIH - DEITR 2010-12-09 US disclosed
EP-0911390-B1 Protein kinases as tools for the diagnosis and treatment of Alzheimer's disease MAX PLANCK GESELLSCHAFT (DE) 2009-08-05 EP disclosed
US-20090162336-A1 Novel Tools for the Diagnosis and Treatment of Alzheimer's Disease MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNGDER WISSENSCHAFTEN, E.V. (DE) 2009-06-25 US disclosed
US-20020188106-A1 Novel tools for the diagnosis and treatment of Alzheimer's disease MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN, E.V. 2002-12-12 US disclosed
US-6200768-B1 DETECTING COMPOUNDS EFFICIENT IN THE DISSOLUTION OF AN ALZHEIMER'S PROTEIN; INCUBATE PREFERENTIAL PROTEIN WITH KINASE, MONITOR HELIX FORMATION, INCUBATE WITH MODULATOR AND DETECT BLOCKING ACTION BY MODULATOR MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN (DE) 2001-03-13 US disclosed
EP-0911398-A2 Phosphorylation epitopes of Tau protein for the diagnosis and treatment of Alzheimer's disease Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1999-04-28 EP disclosed
EP-0911390-A2 Protein kinases as tools for the diagnosis and treatment of Alzheimer's disease Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1999-04-28 EP disclosed
EP-0909814-A2 Use of protein kinases for the diagnosis and treatment of Alzheimer's disease Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1999-04-21 EP disclosed
EP-0791067-A2 PROTEIN KINASE NPK-110 MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 1997-08-27 EP disclosed
WO-1996013592-A2 PROTEIN KINASE NPK-110 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1996-05-09 WO disclosed
EP-0618968-A1 TOOLS FOR THE DIAGNOSIS AND TREATMENT OF ALZHEIMER'S DISEASE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1994-10-12 EP disclosed
WO-1993011231-A1 TOOLS FOR THE DIAGNOSIS AND TREATMENT OF ALZHEIMER'S DISEASE MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1993-06-10 WO disclosed
EP-0544942-A1 Novel tools for the diagnosis and treatment of Alzheimer disease Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1993-06-09 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-20100311726-A1 REDUCTION OF BETA-AMYLOID LEVELS BY TREATMENT WITH THE SMALL MOLECULE DIFFERENTIATION-INDUCING FACTOR APP, BACE1, APBA1 TLR2 3873/4885PRCP 1576/4885CYP1A2 2248/4885

“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.