SCHEMBL22035781

SCHEMBL22035781

COC(=O)[C@H](CCF)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.46
CTSS P25774 7/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KLK5 Q9Y337 1/20 0.41
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL28731892 1.00 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL30657565 0.91 CTSK (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL15562626 0.88 CTSK (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL2845919 0.88 CTSK (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL30695390 0.88 CTSK (0.49) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL29399499 0.87 CYP1A2 (0.59) CTSKCTSSCYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL2845915 0.87 CTSK (0.43) CTSKCTSSCYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL2845922 0.87 CTSK (0.43) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL31341213 0.87 CTSK (0.43) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL24299005 0.86 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166114-B Cyclic tetramer compounds as inhibitors of proprotein convertase subtilisin/KEXIN type 9 (PCSK 9) for the treatment of metabolic disorders 诺华股份有限公司 2025-01-03 CN disclosed
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
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
CN-116606232-A Novel monofluoroalkyl compounds, preparation method and application thereof 许昌学院 2023-08-18 CN disclosed
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
CN-114163343-A Preparation method and application of fluorine-containing amino acid and derivative fluorine-containing polypeptide 许昌学院 2022-03-11 CN 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
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 (5 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 CTSK 1186/4885CTSS 1259/4885CYP1A2 2253/4885
US-11026993-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders PCSK9, PCSK7, PCSK6 CTSK 1186/4885CTSS 1259/4885CYP1A2 2253/4885
US-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders PCSK9, PCSK7, PCSK6 CTSK 1186/4885CTSS 1259/4885CYP1A2 2253/4885
US-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER PCSK9, PCSK7, PCSK6 CTSK 644/4885CTSS 703/4885CYP1A2 2071/4885
US-20200164024-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS PCSK9, PCSK7, PCSK6 CTSK 1186/4885CTSS 1259/4885CYP1A2 2253/4885

“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.