SCHEMBL21994639

SCHEMBL21994639

Cn1c(CC(CC(=O)OC(C)(C)C)C(=O)O)cccc1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CPA1 P15085 3/20 0.36
CPB1 P15086 1/20 0.36
CPA3 P15088 1/20 0.36
CPB2 Q96IY4 1/20 0.36
SLC7A5 Q01650 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
FOLH1 Q04609 1/20 0.34
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
ACE P12821 1/20 0.32
MME P08473 1/20 0.32
AKT1 P31749 1/20 0.32
PTPRC P08575 2/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL21994638 1.00 CA2 (0.37) CA2CA9CPA1CPB1CPA3
SCHEMBL1914508 0.76 KMT2A (0.37) CA2CA9CPA1CPB1CPA3
SCHEMBL1704913 0.76 CPA1 (0.60) CA2CA9CPA1CPB1CPA3
SCHEMBL1915766 0.76 CPA1 (0.60) CA2CA9CPA1CPB1CPA3
SCHEMBL1704171 0.76 CPA1 (0.60) CA2CA9CPA1CPB1CPA3
SCHEMBL22035773 0.74 SMN1; SMN2 (0.39) CA2CA9CPA1CPB1CPA3
SCHEMBL26645763 0.74 SMN1; SMN2 (0.39) CA2CA9CPA1CPB1CPA3
SCHEMBL1916009 0.71 PPARG (0.46) CA2CA9CPA1CPB1CPA3
SCHEMBL1912588 0.71 MME (0.51) CA2CA9CPA1CPB1CPA3
SCHEMBL1912534 0.71 MME (0.51) CA2CA9CPA1CPB1CPA3

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 3 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
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

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-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders PCSK9, PCSK7, PCSK6 CA2 3259/4885CA9 1177/4885CPA1 333/4885

“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.