SCHEMBL864799

SCHEMBL864799

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1F)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.54
CTSS P25774 7/20 0.54
CTSK P43235 6/20 0.54
ACE P12821 2/20 0.51
PPARA Q07869 5/20 0.46
SCN9A Q15858 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
PPARG P37231 4/20 0.45
PPARD Q03181 2/20 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
SCHEMBL864800 1.00 PTPN1 (0.54) PTPN1CTSSCTSKACEPPARA
SCHEMBL30765042 1.00 PTPN1 (0.54) PTPN1CTSSCTSKACEPPARA
SCHEMBL30765047 0.89 CTSS (0.50) PTPN1CTSSCTSKACESCN9A
SCHEMBL30765049 0.89 CTSS (0.50) PTPN1CTSSCTSKACESCN9A
SCHEMBL2894889 0.89 CTSS (0.50) PTPN1CTSSCTSKACESCN9A
SCHEMBL2898437 0.89 CTSS (0.50) PTPN1CTSSCTSKACESCN9A
SCHEMBL5845049 0.89 CTSS (0.55) PTPN1CTSSCTSKACEPPARA
SCHEMBL5845045 0.89 CTSS (0.55) PTPN1CTSSCTSKACEPPARA
SCHEMBL5318364 0.89 CTSS (0.55) PTPN1CTSSCTSKACEPPARA
SCHEMBL30461851 0.89 CTSS (0.55) PTPN1CTSSCTSKACEPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067665-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY AVIKO RADIOPHARMACEUTICALS LLC (US) 2024-02-29 US disclosed
US-20240067665-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY AVIKO RADIOPHARMACEUTICALS LLC (US) 2024-02-29 US disclosed
US-20240067665-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY AVIKO RADIOPHARMACEUTICALS LLC (US) 2024-02-29 US disclosed
WO-2024035871-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY AVIKO RADIOPHARMACEUTICALS, LLC (US) 2024-02-15 WO disclosed
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
EP-2406247-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
US-20100286112-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-11-11 US disclosed
US-20100286112-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-11-11 US disclosed
WO-2010103333-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed
WO-2010103333-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed
WO-2009034388-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2009-03-19 WO 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 (3 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-20100286112-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GPR119, DPP4, DPP9 PTPN1 2545/4885CTSS 1847/4885CTSK 1525/4885
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 PTPN1 3970/4885CTSS 2448/4885CTSK 2018/4885
US-20240067665-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY NME2, BTD, BLVRB PTPN1 3566/4885CTSS 1784/4885CTSK 1803/4885

“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.