SCHEMBL17488484

SCHEMBL17488484

COC(=O)NCCCCC(NC(=O)O)C(=O)NCCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.40
▸ SIRT2 Q8IXJ6 4/20 0.39
▸ GLP1R P43220 8/20 0.35
▸ SIRT1 Q96EB6 2/20 0.35
▸ CPB1 P15086 1/20 0.35
▸ CPB2 Q96IY4 1/20 0.35
▸ ALB P02768 2/20 0.34
▸ SIRT3 Q9NTG7 1/20 0.34

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
SCHEMBL14755924 0.94 AKT1 (0.41) AKT1SIRT2GLP1RSIRT1SIRT3
SCHEMBL18084214 0.92 AKT1 (0.42) AKT1SIRT2GLP1RSIRT1SIRT3
SCHEMBL11964062 0.92 AKT1 (0.42) AKT1SIRT2GLP1RSIRT1SIRT3
SCHEMBL11964063 0.85 SIRT2 (0.38) AKT1SIRT2GLP1RSIRT1CPB1
SCHEMBL18480125 0.85 AKT1 (0.39) AKT1SIRT2GLP1RSIRT1CPB1
SCHEMBL277647 0.85 SIRT2 (0.45) AKT1SIRT2SIRT1SIRT3
SCHEMBL12389311 0.83 SIRT2 (0.42) AKT1SIRT2SIRT1CPB1CPB2
SCHEMBL14542727 0.83 AKT1 (0.36) AKT1SIRT2SIRT1ALB
SCHEMBL12692598 0.83 HDAC4 (0.41) AKT1SIRT2GLP1RSIRT1CPB1
SCHEMBL13623805 0.82 SIRT2 (0.40) AKT1SIRT2GLP1RSIRT1CPB1

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-9636412-B2 Conjugates of an anti-TNF-alpha antibody NEKTAR THERAPEUTICS (US) 2017-05-02 — — US disclosed
US-20160030587-A1 CONJUGATES OF AN ANTI-TNF-ALPHA ANTIBODY NEKTAR THERAPEUTICS 2016-02-04 — — 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-20160030587-A1 CONJUGATES OF AN ANTI-TNF-ALPHA ANTIBODY TNF, TNFRSF1A, TNFRSF9 AKT1 3891/4885SIRT2 4104/4885GLP1R 2986/4885

“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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