SCHEMBL21994883

SCHEMBL21994883

COC(=O)[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
ITGAV P06756 1/20 0.43
POLB P06746 1/20 0.43
GSTP1 P09211 1/20 0.42
GSTM2 P28161 1/20 0.42
SLC10A6 Q3KNW5 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
RECQL P46063 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41

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
SCHEMBL10328444 1.00 CA1 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL21994882 1.00 CA1 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL7752653 0.92 CA1 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL20556384 0.90 CA1 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL20556383 0.90 CA1 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL30299067 0.88 CA1 (0.44) CA1CA2MMP1MMP2MMP9
SCHEMBL25352826 0.87 CA1 (0.44) CA1CA2MMP1MMP2MMP9
SCHEMBL30299062 0.87 CA1 (0.44) CA1CA2MMP1MMP2MMP9
SCHEMBL28057963 0.86 THRB (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL7753684 0.84 MEN1 (0.41) CA1CA2MMP1MMP2MMP9

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 CA1 2682/4885CA2 3021/4885MMP1 1903/4885

“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.