SCHEMBL21994682

SCHEMBL21994682

CN(C(=O)[C@@H](CC(=O)O)Cc1cccc[n+]1[O-])[C@H]1CCCC[C@@H]1N

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 4/20 0.33
SIGMAR1 Q99720 6/20 0.31
CCR5 P51681 2/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
F2 P00734 2/20 0.31
SLC2A1 P11166 1/20 0.31
F10 P00742 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL30191412 0.89 SIGMAR1 (0.32) SIGMAR1F2F10
SCHEMBL21995157 0.80 KMT2A (0.36) CCR5MMP2KMT2A
SCHEMBL21994437 0.75 FFAR2 (0.34) FFAR2SIGMAR1KMT2A
SCHEMBL21994440 0.75 FFAR2 (0.34) FFAR2SIGMAR1KMT2A
SCHEMBL30191593 0.73 ABCB1 (0.40) SIGMAR1F2
Trifluoroacetic Acid SCHEMBL21995343 0.71 SMN1; SMN2 (0.33) FFAR2KMT2A
Trifluoroacetic Acid SCHEMBL21995347 0.71 SMN1; SMN2 (0.33) FFAR2KMT2A
SCHEMBL21994399 0.69 CPA1 (0.43) FFAR2MMP2MMP9MMP12
SCHEMBL21994397 0.69 CPA1 (0.43) FFAR2MMP2MMP9MMP12
SCHEMBL28619288 0.69 CPA1 (0.43) FFAR2MMP2MMP9MMP12

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 FFAR2 508/4885SIGMAR1 3540/4885CCR5 3425/4885

“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.