SCHEMBL12038022

SCHEMBL12038022

C=C(C(=O)NCCNC(=O)CC(CC(=O)NCCNC(=O)C(=C)N1C(=O)C=CC1=O)NC(=O)C(CCCCNC(=O)OCC)NC(=O)OCC)N1C(=O)C=CC1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 9/20 0.40
▸ SIRT1 Q96EB6 5/20 0.40
▸ HDAC4 P56524 5/20 0.35
▸ MEF2D Q14814 3/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ TGM2 P21980 1/20 0.33
▸ SIRT3 Q9NTG7 3/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC9 Q9UKV0 2/20 0.33
▸ HDAC5 Q9UQL6 2/20 0.33
▸ NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL16441084 0.94 SIRT2 (0.36) SIRT2SIRT1HDAC4MEF2DEP300
SCHEMBL277489 0.84 SIRT2 (0.41) SIRT2SIRT1HDAC4MEF2DEP300
SCHEMBL12038071 0.83 SIRT2 (0.34) SIRT2SIRT1
SCHEMBL12417525 0.79 SIRT2 (0.37) SIRT2SIRT1HDAC4MEF2DEP300
SCHEMBL12692606 0.79 SIRT2 (0.36) SIRT2SIRT1HDAC4MEF2DEP300
SCHEMBL16441086 0.78 FOLH1 (0.32) SIRT2SIRT1
SCHEMBL20010470 0.78 SIRT2 (0.39) SIRT2SIRT1HDAC4MEF2DEP300
SCHEMBL14753623 0.77 SIRT2 (0.38) SIRT2SIRT1HDAC4MEF2DEP300
SCHEMBL13339490 0.76 SIRT2 (0.41) SIRT2SIRT1HDAC4MEF2DEP300
SCHEMBL11955676 0.76 SIRT2 (0.37) SIRT2SIRT1HDAC4MEF2DEP300

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-20110318322-A1 Conjugates of a Lysosomal Enzyme Moiety and a Water Soluble Polymer NEKTAR THERAPEUTICS (US) 2011-12-29 — — 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-20110318322-A1 Conjugates of a Lysosomal Enzyme Moiety and a Water Soluble Polymer GAA, MAN2B1, GBA1 SIRT2 3364/4885SIRT1 3115/4885HDAC4 2361/4885

“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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