SCHEMBL13079511

SCHEMBL13079511

COC(=O)CCC(NC(=O)CCCCCNC(=O)C(N)CCCCN)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.54
▸ GNAO1 P09471 1/20 0.54
▸ GNAI1 P63096 1/20 0.54
▸ NMT2 O60551 2/20 0.47
▸ NMT1 P30419 2/20 0.47
▸ NOD1 Q9Y239 1/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ FNTA P49354 2/20 0.45
▸ FNTB P49356 2/20 0.45
▸ RRM1 P23921 1/20 0.44
▸ TLR2 O60603 4/20 0.43
▸ PGGT1B P53609 1/20 0.43
▸ DPP7 Q9UHL4 1/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ ERAP2 Q6P179 2/20 0.42
▸ LNPEP Q9UIQ6 1/20 0.42
▸ ERAP1 Q9NZ08 1/20 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
SCHEMBL13049180 0.87 KMT2A (0.65) GNAI3GNAO1GNAI1NMT2NMT1
SCHEMBL13079813 0.86 KMT2A (0.58) NMT2NMT1NOD1KMT2A
SCHEMBL13079812 0.84 GNAI3 (0.59) GNAI3GNAO1GNAI1NMT2NMT1
SCHEMBL13049191 0.84 GNAI3 (0.60) GNAI3GNAO1GNAI1NOD1KMT2A
SCHEMBL13561938 0.84 ERAP2 (0.47) GNAI3GNAO1GNAI1DPP7ERAP2
SCHEMBL463738 0.84 ERAP2 (0.47) GNAI3GNAO1GNAI1DPP7ERAP2
SCHEMBL10257234 0.83 FOLH1 (0.44) NMT2NMT1NOD1KMT2ATLR2
SCHEMBL21664569 0.82 NMT1 (0.52) NMT2NMT1NOD1KMT2ATLR2
SCHEMBL22576730 0.81 GNAI3 (0.56) GNAI3GNAO1GNAI1NMT2NMT1
SCHEMBL22576729 0.81 GNAI3 (0.56) GNAI3GNAO1GNAI1NMT2NMT1

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-8338643-B2 Reagent for introduction of protein or gene WASEDA UNIVERSITY (JP) 2012-12-25 — — US disclosed
US-20100291672-A1 REAGENT FOR INTRODUCTION OF PROTEIN OR GENE WASEDA UNIVERSITY (JP) 2010-11-18 — — 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-20100291672-A1 REAGENT FOR INTRODUCTION OF PROTEIN OR GENE C1S, SGMS1, CERT1 GNAI3 3465/4885GNAO1 2905/4885GNAI1 1693/4885

“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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