SCHEMBL22355053

SCHEMBL22355053

CN[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)OC)Cc2ccc(OC(=O)OC(C)(C)C)c(c2)-c2cc1ccc2OC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ PDE4B Q07343 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
SCHEMBL17282907 0.88 GAA (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14234456 0.88 GAA (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14234967 0.88 GAA (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25985625 0.87 HDAC3 (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17283055 0.85 CA12 (0.34) PDE4B
SCHEMBL23446821 0.84 GAA (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15723423 0.84 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23447588 0.84 GAA (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15259060 0.83 PDE4B (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26477159 0.82 CTSD (0.34) PDE4B

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-20200262869-A1 PEPTIDE ANTIBIOTIC COMPLEXES AND METHODS OF USE THEREOF GENENTECH, INC. 2020-08-20 — — 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-20200262869-A1 PEPTIDE ANTIBIOTIC COMPLEXES AND METHODS OF USE THEREOF SPAST, PEPD, DNPEP HDAC3 2382/4885HDAC4 2833/4885HDAC1 1217/4885

“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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