SCHEMBL23643228

SCHEMBL23643228

CC(=O)C[C@H](N)C(=O)N[C@@H](C)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DPP4 P27487 7/20 0.35
DPP9 Q86TI2 6/20 0.35
DPP8 Q6V1X1 5/20 0.35
DPP7 Q9UHL4 4/20 0.32
OPRD1 P41143 5/20 0.31
OPRM1 P35372 4/20 0.31
OPRK1 P41145 1/20 0.31
SLC15A1 P46059 1/20 0.31
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
GRIK1 P39086 1/20 0.31
METAP2 P50579 1/20 0.30
METAP1 P53582 1/20 0.30
SLC7A5 Q01650 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
SCHEMBL31631198 0.86 MME (0.44) ALDH1A1TDP1DPP4DPP9DPP8
SCHEMBL14985792 0.84 SLC7A5 (0.48) ALDH1A1SLC7A5
SCHEMBL25596628 0.84 SLC7A5 (0.48) ALDH1A1SLC7A5
SCHEMBL23901238 0.79 ALDH1A1 (0.42) ALDH1A1TDP1MMEACECPA1
SCHEMBL23748590 0.78 DPP4 (0.44) DPP4DPP9DPP8DPP7OPRD1
SCHEMBL23748421 0.76 DPP4 (0.52) DPP4DPP9DPP8DPP7SLC15A1
SCHEMBL13598645 0.76 DPP4 (0.52) DPP4DPP9DPP8DPP7SLC15A1
SCHEMBL121884 0.76 DPP4 (0.52) DPP4DPP9DPP8DPP7SLC15A1
SCHEMBL120711 0.74 DPP7 (0.54) DPP4DPP9DPP8DPP7SLC15A1
SCHEMBL14985783 0.74 SLC7A5 (0.39) ALDH1A1OPRD1OPRM1OPRK1SLC7A5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306125-B2 PCSK9 antagonists bicyclo-compounds MERCK SHARP & DOHME CORP. (US) 2022-04-19 US disclosed
US-20210214395-A1 PCSK9 ANTAGONISTS BICYCLO-COMPOUNDS MERCK SHARP & DOHME LLC 2021-07-15 US 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 (2 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-20210214395-A1 PCSK9 ANTAGONISTS BICYCLO-COMPOUNDS PCSK9, PCSK7, PCSK6 ALDH1A1 4478/4885TDP1 2293/4885DPP4 166/4885
US-11306125-B2 PCSK9 antagonists bicyclo-compounds PCSK9, PCSK7, PCSK6 ALDH1A1 4478/4885TDP1 2293/4885DPP4 166/4885

“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.