SCHEMBL21978636

SCHEMBL21978636

CC(C)(C)OC(=O)CC(Cc1ccccn1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.51
CYP1A2 P05177 3/20 0.42
FDPS P14324 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CPA1 P15085 2/20 0.38
CPB1 P15086 1/20 0.38
CPA3 P15088 1/20 0.38

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
SCHEMBL21978634 1.00 PTPRA (0.51) PTPRACYP1A2FDPSSMN1; SMN2TSHR
SCHEMBL31326535 1.00 PTPRA (0.51) PTPRACYP1A2FDPSSMN1; SMN2TSHR
SCHEMBL21978581 0.87 HDAC6 (0.46) PTPRACYP1A2FDPSSMN1; SMN2TSHR
SCHEMBL21978531 0.87 HDAC6 (0.46) PTPRACYP1A2FDPSSMN1; SMN2TSHR
SCHEMBL27954184 0.85 PTPRA (0.47) PTPRACYP1A2FDPSSMN1; SMN2TSHR
SCHEMBL30191609 0.81 KMT2A (0.41) SMN1; SMN2CA2CA9CPA1CPB1
SCHEMBL22035812 0.81 KMT2A (0.41) SMN1; SMN2CA2CA9CPA1CPB1
SCHEMBL1704171 0.80 CPA1 (0.60) CYP1A2CA2CA9CPA1CPB1
SCHEMBL1704913 0.80 CPA1 (0.60) CYP1A2CA2CA9CPA1CPB1
SCHEMBL1915766 0.80 CPA1 (0.60) CYP1A2CA2CA9CPA1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders NOVARTIS AG (CH) 2023-11-14 US disclosed
EP-3887365-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2021-10-06 EP disclosed
US-20210252103-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2021-08-19 US disclosed
US-11026993-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders NOVARTIS AG (CH) 2021-06-08 US disclosed
WO-2020110009-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2020-06-04 WO disclosed
US-20200164024-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2020-05-28 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-20210252103-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS PCSK9, PCSK7, PCSK6 PTPRA 1771/4885CYP1A2 2253/4885FDPS 1065/4885
US-11026993-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders PCSK9, PCSK7, PCSK6 PTPRA 1771/4885CYP1A2 2253/4885FDPS 1065/4885
US-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders PCSK9, PCSK7, PCSK6 PTPRA 1771/4885CYP1A2 2253/4885FDPS 1065/4885
US-20200164024-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS PCSK9, PCSK7, PCSK6 PTPRA 1771/4885CYP1A2 2253/4885FDPS 1065/4885

“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.