SCHEMBL21994735

SCHEMBL21994735

COC(=O)[C@@H](CC(=O)OC(C)(C)C)Cc1ccc(F)c[n+]1[O-]

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.35
CA2 P00918 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
KLK5 Q9Y337 2/20 0.32
TSHR P16473 1/20 0.32
CYP2D6 P10635 1/20 0.32
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1D1 P20393 1/20 0.31
ABCB1 P08183 1/20 0.31
CA12 O43570 2/20 0.30
CA7 P43166 2/20 0.30
CA14 Q9ULX7 2/20 0.30
ITGA4 P13612 1/20 0.30
ITGB7 P26010 1/20 0.30
ATM Q13315 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
SCHEMBL21994736 1.00 CA9 (0.35) CA9CA2CTSSCTSKKLK5
SCHEMBL21994633 0.88 CA2 (0.36) CA9CA2CTSSCTSKCYP2D6
SCHEMBL21994635 0.88 CA2 (0.36) CA9CA2CTSSCTSKCYP2D6
SCHEMBL31326488 0.81 KMT2A (0.38) CA9CA2KLK5KMT2AITGA4
SCHEMBL21994860 0.81 KMT2A (0.38) CA9CA2KLK5KMT2AITGA4
SCHEMBL21994859 0.81 KMT2A (0.38) CA9CA2KLK5KMT2AITGA4
SCHEMBL30191532 0.79 NR1D1 (0.32) CA9CA2NR1D1
SCHEMBL16859283 0.79 CTSS (0.46) CA9CA2CTSSCTSKKLK5
SCHEMBL21994363 0.74 FPR2 (0.34) CA9CA2CTSSCTSKKLK5
SCHEMBL1915705 0.71 CA2 (0.52) CA9CA2CTSSCTSKKLK5

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 CA9 532/4885CA2 3021/4885CTSS 703/4885

“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.