SCHEMBL13363677

SCHEMBL13363677

NCCCCCC(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.56
▸ TLR2 O60603 1/20 0.53
▸ NMT1 P30419 5/20 0.52
▸ NMT2 O60551 4/20 0.52
▸ ROCK2 O75116 3/20 0.48
▸ PRKACA P17612 1/20 0.48
▸ AKT3 Q9Y243 1/20 0.48
▸ FOLH1 Q04609 2/20 0.46
▸ HPGDS O60760 1/20 0.46
▸ NOD1 Q9Y239 4/20 0.45

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
SCHEMBL19696608 0.95 SLC6A5 (0.50) SLC6A5TLR2NMT1NMT2ROCK2
SCHEMBL17955254 0.95 SLC6A5 (0.50) SLC6A5TLR2NMT1NMT2ROCK2
SCHEMBL9664106 0.92 SLC6A5 (0.67) SLC6A5TLR2NMT1NMT2NOD1
SCHEMBL9664216 0.92 SLC6A5 (0.67) SLC6A5TLR2NMT1NMT2NOD1
SCHEMBL12640054 0.92 SLC6A5 (0.67) SLC6A5TLR2NMT1NMT2NOD1
SCHEMBL5693676 0.92 SLC6A5 (0.67) SLC6A5TLR2NMT1NMT2NOD1
SCHEMBL9666267 0.92 SLC6A5 (0.67) SLC6A5TLR2NMT1NMT2NOD1
SCHEMBL18735588 0.92 SLC6A5 (0.67) SLC6A5TLR2NMT1NMT2NOD1
SCHEMBL22821587 0.92 SLC6A5 (0.67) SLC6A5TLR2NMT1NMT2NOD1
SCHEMBL15185893 0.91 SLC6A5 (0.48) SLC6A5TLR2NMT1NMT2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022271818-A1 ANTISENSE COMPOUNDS AND METHODS FOR TARGETING CUG REPEATS ENTRADA THERAPEUTICS, INC. (US) 2022-12-29 — — WO disclosed
US-20210139539-A1 NEW ANTIBACTERIAL PRODUCTS THE UNIVERSITY OF LIVERPOOL (GB) 2021-05-13 — — US disclosed
US-9096646-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-08-04 — — US disclosed
US-20130210709-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-08-15 — — US disclosed
WO-2010053548-A2 PTHR1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 — — WO 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-20210139539-A1 NEW ANTIBACTERIAL PRODUCTS DBI, MRPL21, NRDC SLC6A5 3444/4885TLR2 305/4885NMT1 1313/4885
US-20130210709-A1 CXCR4 Receptor Compounds CXCR4, CXCL12, SDF4 SLC6A5 3188/4885TLR2 886/4885NMT1 2559/4885

“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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