SCHEMBL12037876

SCHEMBL12037876

C=C(NC(=O)CCN1C(=O)CC(NC)C1=O)NC(=O)C(CCCCNC(=O)OCC)NC(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.35
▸ SIRT2 Q8IXJ6 7/20 0.34
▸ SIRT1 Q96EB6 4/20 0.34
▸ KLK7 P49862 2/20 0.34
▸ KLK5 Q9Y337 2/20 0.34
▸ HDAC4 P56524 4/20 0.33
▸ MEF2D Q14814 4/20 0.33
▸ EP300 Q09472 2/20 0.33
▸ SIRT3 Q9NTG7 1/20 0.32
▸ FOLH1 Q04609 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
SCHEMBL12410282 0.90 SIRT2 (0.35) ACESIRT2SIRT1KLK7KLK5
SCHEMBL277682 0.88 SIRT2 (0.39) ACESIRT2SIRT1KLK7KLK5
SCHEMBL12038058 0.88 FOLH1 (0.35) ACESIRT2SIRT1KLK7KLK5
SCHEMBL12692597 0.84 ACE (0.36) ACESIRT2SIRT1KLK7KLK5
SCHEMBL12037811 0.83 SIRT2 (0.40) SIRT2SIRT1HDAC4MEF2DEP300
SCHEMBL13311607 0.82 SIRT2 (0.39) ACESIRT2SIRT1KLK7KLK5
SCHEMBL12417528 0.82 FOLH1 (0.33) ACESIRT2SIRT1KLK7KLK5
SCHEMBL14864098 0.79 SIRT2 (0.35) ACESIRT2SIRT1KLK7KLK5
SCHEMBL14870345 0.79 SIRT2 (0.41) SIRT2SIRT1HDAC4MEF2DEP300
SCHEMBL9910894 0.78 SIRT2 (0.40) ACESIRT2SIRT1KLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420068-B2 Polymer-based compositions and conjugates of antimicrobial agents NEKTAR THERAPEUTICS (US) 2013-04-16 — — US disclosed
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 ACE 659/4885SIRT2 3364/4885SIRT1 3115/4885

“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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