SCHEMBL11955643

SCHEMBL11955643

CCOC(=O)NCCCCC(NC(=O)OCC)C(=O)NC(C)NC(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 6/20 0.43
▸ SIRT1 Q96EB6 6/20 0.43
▸ SIRT3 Q9NTG7 3/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ MEF2D Q14814 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ CPB1 P15086 1/20 0.37
▸ CPB2 Q96IY4 1/20 0.37
▸ TGM2 P21980 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
SCHEMBL15975505 0.84 TGM2 (0.48) SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL277854 0.83 SIRT2 (0.48) SIRT2SIRT1SIRT3HDAC4EP300
SCHEMBL12410205 0.82 SIRT1 (0.49) SIRT2SIRT1SIRT3HDAC4EP300
SCHEMBL10310593 0.82 SIRT2 (0.41) SIRT2SIRT1SIRT3HDAC4EP300
SCHEMBL14771638 0.82 SIRT2 (0.42) SIRT2SIRT1SIRT3HDAC4HDAC3
SCHEMBL25176590 0.82 KMT2A (0.45) SIRT2SIRT1SIRT3TGM2
SCHEMBL25176589 0.82 KMT2A (0.45) SIRT2SIRT1SIRT3TGM2
SCHEMBL11955678 0.80 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT6TGM2
SCHEMBL11955676 0.80 SIRT2 (0.37) SIRT2SIRT1SIRT3HDAC4EP300
SCHEMBL2607891 0.80 SIRT1 (0.44) SIRT2SIRT1SIRT3HDAC4EP300

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-20120195847-A1 POLYMER CONJUGATES OF BIPHALIN PEPTIDES NEKTAR THERAPEUTICS (US) 2012-08-02 — — 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-20120195847-A1 POLYMER CONJUGATES OF BIPHALIN PEPTIDES NGLY1, DNPEP, CIAPIN1 SIRT2 4454/4885SIRT1 4002/4885SIRT3 4572/4885

“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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