SCHEMBL13339221

SCHEMBL13339221

CCOC(=O)NCCCC(NC(=O)OCC)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ SIRT1 Q96EB6 2/20 0.35
▸ HDAC4 P56524 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ ACHE P22303 7/20 0.34
▸ TGM2 P21980 1/20 0.33
▸ SIRT3 Q9NTG7 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ EP300 Q09472 1/20 0.33

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
SCHEMBL277624 0.96 SIRT2 (0.38) SIRT2SIRT1HDAC4ACETGM2
SCHEMBL13167106 0.92 ACE (0.36) SIRT2SIRT1HDAC4HDAC3HDAC1
SCHEMBL12692567 0.89 SIRT2 (0.41) SIRT2SIRT1HDAC4HDAC3HDAC1
SCHEMBL12424727 0.89 ACE (0.36) SIRT2SIRT1HDAC4HDAC3HDAC1
SCHEMBL12508324 0.88 EPHX1 (0.36) SIRT2SIRT1TGM2SIRT3KMT2A
SCHEMBL2756775 0.85 SIRT2 (0.36) SIRT2SIRT1TGM2SIRT3KMT2A
SCHEMBL10017795 0.84 EPHX1 (0.38) SIRT2SIRT1TGM2SIRT3KMT2A
SCHEMBL327848 0.84 EPHX1 (0.38) SIRT2SIRT1TGM2SIRT3KMT2A
SCHEMBL30895563 0.83 MEN1 (0.48) ACEKMT2AKLK7KLK5
SCHEMBL12604209 0.83 MEN1 (0.48) ACEKMT2AKLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110171166-A1 POLYMER CONJUGATES OF OSTEOCALCIN PEPTIDES NEKTAR THERAPEUTICS 2011-07-14 — — US disclosed
US-20100130684-A1 POLYMER FACTOR IX MOIETY CONJUGATES NEKTAR THERAPEUTICS (US) 2010-05-27 — — US disclosed
US-7714114-B2 Conjugates of an EPO moiety and a polymer NEKTAR THERAPEUTICS (US) 2010-05-11 — — 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 (2 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-20100130684-A1 POLYMER FACTOR IX MOIETY CONJUGATES F9, F13A1, F8 SIRT2 4162/4885SIRT1 3966/4885HDAC4 3492/4885
US-20110171166-A1 POLYMER CONJUGATES OF OSTEOCALCIN PEPTIDES SOST, PTMS, ALPP SIRT2 2572/4885SIRT1 1581/4885HDAC4 3678/4885

“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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