SCHEMBL21994633

SCHEMBL21994633

CC(C)(C)OC(=O)C[C@@H](Cc1ccc(F)c[n+]1[O-])C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
CA9 Q16790 1/20 0.36
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
NR1D1 P20393 1/20 0.32
ABCB1 P08183 1/20 0.32
CPA1 P15085 1/20 0.32
ATM Q13315 1/20 0.31
MME P08473 1/20 0.31
MMP13 P45452 1/20 0.31
CYP2D6 P10635 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
SCHEMBL21994635 1.00 CA2 (0.36) CA2CA9CTSSCTSKNR1D1
SCHEMBL21994736 0.88 CA9 (0.35) CA2CA9CTSSCTSKNR1D1
SCHEMBL21994735 0.88 CA9 (0.35) CA2CA9CTSSCTSKNR1D1
SCHEMBL21994878 0.82 CPA1 (0.45) CPA1MME
SCHEMBL21994875 0.82 CPA1 (0.45) CPA1MME
SCHEMBL30191532 0.81 NR1D1 (0.32) CA2CA9NR1D1
SCHEMBL21978288 0.81 CA2 (0.39) CA2CA9ABCB1CPA1ATM
SCHEMBL21978289 0.81 CA2 (0.39) CA2CA9ABCB1CPA1ATM
SCHEMBL30191387 0.81 CA2 (0.39) CA2CA9ABCB1CPA1ATM
SCHEMBL1915658 0.78 CTSS (0.47) CA2CA9CTSSCTSKCPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER NOVARTIS AG (CH) 2023-03-23 US disclosed
EP-3887363-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER Novartis AG (CH) 2021-10-06 EP disclosed
CN-113166101-A Cyclic pentameric compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders 诺华股份有限公司 2021-07-23 CN disclosed
WO-2020110008-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER 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-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER PCSK9, PCSK7, PCSK6 CA2 3021/4885CA9 532/4885CTSS 703/4885

“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.