SCHEMBL21995282

SCHEMBL21995282

C[C@H](NC(=O)O)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.60
MMP9 P14780 3/20 0.60
MMP1 P03956 2/20 0.60
MMP13 P45452 2/20 0.60
MMP3 P08254 1/20 0.60
MMP7 P09237 1/20 0.60
SLC1A3 P43003 1/20 0.56
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
CA2 P00918 5/20 0.55
CA12 O43570 4/20 0.55
CA9 Q16790 4/20 0.55
CA14 Q9ULX7 3/20 0.55
CA1 P00915 3/20 0.55
CA3 P07451 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA13 Q8N1Q1 1/20 0.55

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
SCHEMBL21995283 1.00 MMP2 (0.60) MMP2MMP9MMP1MMP13MMP3
SCHEMBL30191314 0.82 MMP2 (0.50) MMP2MMP9MMP1MMP13MMP3
SCHEMBL22492652 0.81 MMP2 (0.68) MMP2MMP9MMP1MMP13MMP3
SCHEMBL5193258 0.81 MMP2 (0.68) MMP2MMP9MMP1MMP13MMP3
SCHEMBL26616333 0.78 MMP2 (0.92) MMP2MMP9MMP1MMP13MMP3
SCHEMBL6422533 0.78 MMP2 (0.92) MMP2MMP9MMP1MMP13MMP3
SCHEMBL6422526 0.78 MMP2 (0.92) MMP2MMP9MMP1MMP13MMP3
SCHEMBL8575008 0.78 CA2 (0.65) MMP2MMP9MMP1MMP13MMP3
SCHEMBL25352533 0.77 MEN1 (0.54) MMP2MMP9MMP1MMP13MMP3
SCHEMBL28614173 0.77 MMP2 (0.53) MMP2MMP9MMP1MMP13MMP3

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 MMP2 1244/4885MMP9 429/4885MMP1 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.