SCHEMBL21994700

SCHEMBL21994700

COCC(NC(=O)C(CCF)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C(CC(=O)NCC(C)N(C)C(=O)C(CC(=O)O)Cc1ccccc1)Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.42
TLR2 O60603 4/20 0.36
GRB2 P62993 1/20 0.35
CASP3 P42574 2/20 0.34

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
SCHEMBL30191309 0.93 PTPN1 (0.42) PTPN1TLR2GRB2
SCHEMBL30191560 0.89 PTPN1 (0.43) PTPN1TLR2GRB2CASP3
SCHEMBL30191554 0.84 PTPN1 (0.38) PTPN1CASP3
SCHEMBL21994482 0.82 FDFT1 (0.37)
SCHEMBL21994480 0.82 FDFT1 (0.37)
SCHEMBL21994532 0.81 REN (0.34)
SCHEMBL21994534 0.81 REN (0.34)
SCHEMBL21994748 0.77 CA2 (0.35)
SCHEMBL21994747 0.77 CA2 (0.35)
SCHEMBL30191563 0.77 PTPN1 (0.33) PTPN1CASP3

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-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
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 PTPN1 372/4885TLR2 4366/4885GRB2 4432/4885

“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.