SCHEMBL2756775

SCHEMBL2756775

COCOC(=O)NCCCCC(NC(=O)OCOC)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.36
▸ SIRT1 Q96EB6 2/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ KLK7 P49862 1/20 0.35
▸ KLK5 Q9Y337 1/20 0.35
▸ TGM2 P21980 6/20 0.34
▸ FOLH1 Q04609 3/20 0.33
▸ ATM Q13315 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL277624 0.88 SIRT2 (0.38) SIRT2SIRT1SIRT3KLK7KLK5
SCHEMBL10017795 0.88 EPHX1 (0.38) SIRT2SIRT1SIRT3CA1CA2
SCHEMBL327848 0.88 EPHX1 (0.38) SIRT2SIRT1SIRT3CA1CA2
SCHEMBL12990568 0.87 HPGD (0.35) SIRT2SIRT1SIRT3CA1CA2
SCHEMBL13167106 0.86 ACE (0.36) SIRT2SIRT1SIRT3CA1CA2
SCHEMBL13339221 0.85 SIRT2 (0.35) SIRT2SIRT1SIRT3KLK7KLK5
SCHEMBL12509746 0.85 SIRT1 (0.38) SIRT2SIRT1SIRT3CA1CA2
SCHEMBL12508324 0.84 EPHX1 (0.36) SIRT2SIRT1SIRT3CA1CA2
SCHEMBL12694367 0.84 FOLH1 (0.39) SIRT2SIRT1SIRT3CA1CA2
SCHEMBL3754005 0.82 TDP1 (0.48) CA1CA2KLK7KLK5ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302761-A1 INTERMEDIATES USEFUL IN THE PREPARATION OF MALEIMIDE FUNCTIONALIZED POLYMERS NEKTAR THERAPEUTICS (US) 2012-11-29 — — US disclosed
US-8258324-B2 Intermediates useful in the preparation of maleimide functionalized polymers NEKTAR THERAPEUTICS (US) 2012-09-04 — — US disclosed
US-20120004422-A1 Intermediates Useful in the Preparation of Maleimide Functionalized Polymers NEKTAR THERAPEUTICS (US) 2012-01-05 — — US disclosed
US-7790835-B2 Water soluble, non-peptidic polymer covalently attached to a Diels-Alder bicyclic or tricyclic imide ring; chemical intermediates NEKTAR THERAPEUTICS (US) 2010-09-07 — — 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-20120302761-A1 INTERMEDIATES USEFUL IN THE PREPARATION OF MALEIMIDE FUNCTIONALIZED POLYMERS DERA, MMAB, PAICS SIRT2 1300/4885SIRT1 1247/4885SIRT3 869/4885
US-20120004422-A1 Intermediates Useful in the Preparation of Maleimide Functionalized Polymers DERA, MMAB, PAICS SIRT2 1300/4885SIRT1 1247/4885SIRT3 869/4885

“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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