SCHEMBL25500051

SCHEMBL25500051

COc1ccc(C[C@H](NC(=O)[C@@H](N)[C@@H](C)OC(C)(C)C)C(=O)N2CCC[C@@]2(C)C(C)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 3/20 0.39
▸ MMP3 P08254 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PSMB8 P28062 13/20 0.37
▸ PSMB5 P28074 12/20 0.37
▸ PSMB2 P49721 3/20 0.37
▸ PSMB10 P40306 3/20 0.37
▸ PSMB9 P28065 5/20 0.37
▸ PSMB1 P20618 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ FAP Q12884 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ PSMA1 P25786 1/20 0.37
▸ PSMB4 P28070 1/20 0.37

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
SCHEMBL23080567 0.93 MMP1 (0.39) MMP1MMP3PSMB8PSMB5PSMB2
SCHEMBL23080559 0.93 MMP1 (0.39) MMP1MMP3KMT2APSMB8PSMB5
SCHEMBL25545763 0.84 MMP1 (0.42) MMP1KMT2APSMB8PSMB5PSMB2
SCHEMBL23080579 0.84 MMP1 (0.42) MMP1KMT2APSMB8PSMB5PSMB2
SCHEMBL23643226 0.84 MMP1 (0.43) MMP1MMP3KMT2APSMB8PSMB5
SCHEMBL23642940 0.84 KMT2A (0.34) MMP1MMP3KMT2A
SCHEMBL25500045 0.83 MMP1 (0.40) MMP1MMP3PSMB8PSMB5PSMB2
SCHEMBL25444781 0.83 MMP1 (0.42) MMP1MMP3KMT2APSMB8PSMB5
SCHEMBL25168229 0.81 HTRA1 (0.40) MMP1MMP3KMT2APSMB8PSMB5
SCHEMBL25168228 0.81 HTRA1 (0.40) MMP1MMP3KMT2APSMB8PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159592-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-05-25 — — 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 (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-20230159592-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 MMP1 2039/4885MMP3 695/4885KMT2A 1913/4885

“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.

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