SCHEMBL25448478

SCHEMBL25448478

C=CCCCN(Cc1ccc(CCN(C)C(=O)OC(C)(C)C)cc1)C(=O)CCOCCC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.36
▸ HDAC1 Q13547 4/20 0.33
▸ HDAC6 Q9UBN7 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC3 O15379 3/20 0.33
▸ HDAC2 Q92769 3/20 0.33
▸ NCOR2 Q9Y618 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ TLR7 Q9NYK1 4/20 0.32
▸ NAMPT P43490 1/20 0.31
▸ LTB4R2 Q9NPC1 1/20 0.31
▸ CTSK P43235 1/20 0.31

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
SCHEMBL23538085 0.86 CA2 (0.40) USP2HDAC1HDAC6HDAC3HDAC2
SCHEMBL25444886 0.83 HDAC3 (0.39) HDAC1HDAC6HDAC3HDAC2NCOR2
Hydrochloric Acid SCHEMBL23537869 0.82 HDAC3 (0.39) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL23080720 0.78 CA2 (0.43) USP2HDAC1HDAC6HDAC3HDAC2
SCHEMBL23080794 0.75 HDAC3 (0.42) HDAC1HDAC6HDAC3HDAC2NCOR2
Hydrochloric Acid SCHEMBL23270114 0.74 HDAC3 (0.41) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL24293612 0.70 L3MBTL1 (0.48) USP2HDAC1L3MBTL1HDAC3HDAC2
SCHEMBL1578129 0.69 MEN1 (0.40) HDAC1HDAC6HDAC2
SCHEMBL20777122 0.69 HDAC6 (0.36) HDAC1HDAC6L3MBTL1HDAC2ALDH1A1
SCHEMBL2883767 0.68 ESRRG (0.39) L3MBTL1LTB4R2CTSK

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-20230144324-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-05-11 — — 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-20230144324-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 USP2 3822/4885HDAC1 258/4885HDAC6 829/4885

“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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