SCHEMBL13650201

SCHEMBL13650201

CC(C)(C)OC(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)cn1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
ACE P12821 1/20 0.45
CPB2 Q96IY4 6/20 0.45
CPB1 P15086 1/20 0.43
MAPK1 P28482 1/20 0.43
ITGA4 P13612 2/20 0.42
ITGB7 P26010 2/20 0.42
PTPN1 P18031 2/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL3008889 1.00 ITGB3 (0.45) ITGB3ITGA2BACECPB2CPB1
SCHEMBL3008885 1.00 ITGB3 (0.45) ITGB3ITGA2BACECPB2CPB1
Benzene SCHEMBL29402026 0.99 ACE (0.47) ITGB3ITGA2BACECPB2CPB1
SCHEMBL3439706 0.89 KLK5 (0.41) CPB2
SCHEMBL9838791 0.89 KLK5 (0.41) CPB2
SCHEMBL31270648 0.89 ACE (0.41) ITGB3ITGA2BACECPB2CPB1
SCHEMBL12658360 0.89 CTSS (0.40) CPB2CPB1MAPK1
SCHEMBL30643155 0.89 CTSS (0.40) CPB2CPB1MAPK1
SCHEMBL10775312 0.89 ACE (0.53) ITGB3ITGA2BACEMAPK1PTPN1
SCHEMBL29398206 0.89 MAPK1 (0.42) ITGB3ITGA2BACECPB2CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874803-A Antibacterial dendritic polyester polymer and preparation method and application thereof 清华大学深圳国际研究生院 2023-10-13 CN claimed
CN-116874803-A Antibacterial dendritic polyester polymer and preparation method and application thereof 清华大学深圳国际研究生院 2023-10-13 CN disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
US-10265325-B2 Cholinergic enhancers with improved blood-brain barrier permeability for the treatment of diseases accompanied by cognitive impairment NEURODYN LIFE SCIENCES INC. (CA) 2019-04-23 US disclosed
US-20180008613-A1 CHOLINERGIC ENHANCERS WITH IMPROVED BLOOD-BRAIN BARRIER PERMEABILITY FOR THE TREATMENT OF DISEASES ACCOMPANIED BY COGNITIVE IMPAIRMENT NEURODYN LIFE SCIENCES INC (CA) 2018-01-11 US disclosed
US-9763953-B2 Cholinergic enhancers with improved blood-brain barrier permeability for the treatment of diseases accompanied by cognitive impairment NEURODYN LIFE SCIENCES INC. (CA) 2017-09-19 US disclosed
US-9763953-B2 Cholinergic enhancers with improved blood-brain barrier permeability for the treatment of diseases accompanied by cognitive impairment NEURODYN LIFE SCIENCES INC. (CA) 2017-09-19 US disclosed
US-20130210808-A1 CHOLINERGIC ENHANCERS WITH IMPROVED BLOOD-BRAIN BARRIER PERMEABILITY FOR THE TREATMENT OF DISEASES ACCOMPANIED BY COGNITIVE IMPAIRMENT GALANTOS PHARMA GMBH (DE) 2013-08-15 US disclosed
US-20130210808-A1 CHOLINERGIC ENHANCERS WITH IMPROVED BLOOD-BRAIN BARRIER PERMEABILITY FOR THE TREATMENT OF DISEASES ACCOMPANIED BY COGNITIVE IMPAIRMENT GALANTOS PHARMA GMBH (DE) 2013-08-15 US disclosed
US-20090253654-A1 CHOLINERGIC ENHANCERS WITH IMPROVED BLOOD-BRAIN BARRIER PERMEABILITY FOR THE TREATMENT OF DISEASES ACCOMPANIED BY COGNITIVE IMPAIRMENT GALANTOS PHARMA GMBH (DE) 2009-10-08 US disclosed
US-20090253654-A1 CHOLINERGIC ENHANCERS WITH IMPROVED BLOOD-BRAIN BARRIER PERMEABILITY FOR THE TREATMENT OF DISEASES ACCOMPANIED BY COGNITIVE IMPAIRMENT GALANTOS PHARMA GMBH (DE) 2009-10-08 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-20180008613-A1 CHOLINERGIC ENHANCERS WITH IMPROVED BLOOD-BRAIN BARRIER PERMEABILITY FOR THE TREATMENT OF DISEASES ACCOMPANIED BY COGNITIVE IMPAIRMENT CHAT, SLC18A3, CHRNB2 ITGB3 4723/4885ITGA2B 3766/4885ACE 360/4885
US-10265325-B2 Cholinergic enhancers with improved blood-brain barrier permeability for the treatment of diseases accompanied by cognitive impairment CHAT, SLC18A3, CHRNB2 ITGB3 4723/4885ITGA2B 3766/4885ACE 360/4885
US-20090253654-A1 CHOLINERGIC ENHANCERS WITH IMPROVED BLOOD-BRAIN BARRIER PERMEABILITY FOR THE TREATMENT OF DISEASES ACCOMPANIED BY COGNITIVE IMPAIRMENT ACHE, BCHE, COMT ITGB3 3562/4885ITGA2B 3427/4885ACE 78/4885
US-20130210808-A1 CHOLINERGIC ENHANCERS WITH IMPROVED BLOOD-BRAIN BARRIER PERMEABILITY FOR THE TREATMENT OF DISEASES ACCOMPANIED BY COGNITIVE IMPAIRMENT ACHE, BCHE, COMT ITGB3 3562/4885ITGA2B 3427/4885ACE 78/4885

“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.