SCHEMBL16329552

SCHEMBL16329552

NCCCCC(NC(=O)CCOCCOCCOCCOCCNC(=O)C(CCCCN)NC(=O)OCCOCCOCCOCCCC(=O)C(CCCCN)NC(=O)CCOCCOCCOCCOCCNC(=O)C(CCCCN)NC(=O)CCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 8/20 0.54
▸ CPB1 P15086 1/20 0.42
▸ CPB2 Q96IY4 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ MDM2 Q00987 4/20 0.41

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
SCHEMBL16329533 0.97 TLR2 (0.53) TLR2CPB1CPB2KMT2AMDM2
SCHEMBL26447022 0.97 TLR2 (0.53) TLR2CPB1CPB2KMT2AMDM2
SCHEMBL30895594 0.90 TLR2 (0.50) TLR2CPB1CPB2KMT2AMDM2
SCHEMBL19542141 0.89 TLR2 (0.62) TLR2KMT2A
SCHEMBL19542037 0.89 TLR2 (0.49) TLR2CPB1CPB2KMT2A
SCHEMBL19542143 0.88 TLR2 (0.49) TLR2KMT2A
SCHEMBL19542209 0.86 TLR2 (0.56) TLR2CPB1CPB2KMT2A
SCHEMBL22514287 0.86 TLR2 (0.54) TLR2CPB1CPB2KMT2A
SCHEMBL19541911 0.86 TLR2 (0.56) TLR2CPB1CPB2KMT2A
SCHEMBL30895410 0.85 TLR2 (0.52) TLR2KMT2AMDM2

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-20130052130-A1 Branched Discreet PEG Constructs UNIVERSITY OF WASHINGTON (US) 2013-02-28 — — 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-20130052130-A1 Branched Discreet PEG Constructs BTD, DNPEP, IDUA TLR2 1044/4885CPB1 729/4885CPB2 743/4885

“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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