SCHEMBL10168629

SCHEMBL10168629

CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(C)=O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.63
▸ NMT1 P30419 6/20 0.56
▸ NMT2 O60551 5/20 0.56
▸ SIRT6 Q8N6T7 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47
▸ SLC6A5 Q9Y345 1/20 0.46
▸ NPY4R P50391 6/20 0.46
▸ NPY5R Q15761 5/20 0.46
▸ NPY1R P25929 4/20 0.46
▸ NPY2R P49146 2/20 0.46
▸ KISS1R Q969F8 1/20 0.43

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
SCHEMBL10168619 1.00 TLR2 (0.63) TLR2NMT1NMT2SIRT6SIRT1
SCHEMBL10169219 0.98 TLR2 (0.63) TLR2NMT1NMT2SIRT6SIRT1
SCHEMBL10169229 0.97 TLR2 (0.61) TLR2NMT1NMT2SIRT6SIRT1
SCHEMBL13354428 0.96 TLR2 (0.57) TLR2NMT1NMT2SIRT6SIRT1
SCHEMBL10168627 0.95 TLR2 (0.55) TLR2NMT1NMT2NPY4RNPY5R
SCHEMBL10169205 0.94 TLR2 (0.56) TLR2NMT1NMT2SIRT6SIRT1
SCHEMBL10168590 0.94 TLR2 (0.58) TLR2NMT1NMT2SIRT6SIRT1
SCHEMBL10169040 0.93 TLR2 (0.60) TLR2NMT1NMT2SIRT6SIRT1
SCHEMBL10168625 0.93 TLR2 (0.60) TLR2NMT1NMT2SIRT6SIRT1
SCHEMBL10169045 0.93 TLR2 (0.60) TLR2NMT1NMT2SIRT6SIRT1

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-20120028888-A1 APJ RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2012-02-02 — — 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-20120028888-A1 APJ RECEPTOR COMPOUNDS APLNR, AP1G1, AP2B1 TLR2 1011/4885NMT1 2633/4885NMT2 2692/4885

“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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