SCHEMBL18734883

SCHEMBL18734883

NCCCCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 6/20 0.63
▸ ERAP2 Q6P179 4/20 0.63
▸ GRIA1 P42261 2/20 0.54
▸ CA2 P00918 3/20 0.54
▸ CA1 P00915 2/20 0.54
▸ ITGB3 P05106 1/20 0.50
▸ ITGA2B P08514 1/20 0.50
▸ MME P08473 1/20 0.48
▸ CTSL P07711 1/20 0.47
▸ FOLH1 Q04609 2/20 0.47
▸ ERAP1 Q9NZ08 2/20 0.47
▸ ENPEP Q07075 2/20 0.47
▸ CHRNA1 P02708 1/20 0.46
▸ CHRNG P07510 1/20 0.46
▸ CHRNB1 P11230 1/20 0.46
▸ CHRND Q07001 1/20 0.46

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
SCHEMBL28206145 0.91 GRIA1 (0.64) LNPEPERAP2GRIA1CA2CA1
SCHEMBL9716710 0.85 ERAP2 (0.55) LNPEPERAP2CA2CA1ITGB3
SCHEMBL7034236 0.85 LNPEP (0.60) LNPEPERAP2CA2CA1ITGB3
SCHEMBL9716715 0.85 ERAP2 (0.55) LNPEPERAP2CA2CA1ITGB3
SCHEMBL7034241 0.85 LNPEP (0.60) LNPEPERAP2CA2CA1ITGB3
SCHEMBL11278740 0.84 CA2 (0.72) LNPEPCA2CA1MMECTSL
SCHEMBL11269522 0.84 CA2 (0.72) LNPEPCA2CA1MMECTSL
Lysyl-Tyrosyl-Lysine Acetate SCHEMBL6275111 0.83 NPY4R (0.62) LNPEPERAP2ENPEPCHRNA1CHRNG
SCHEMBL9318080 0.83 SLC15A2 (0.60) LNPEPERAP2GRIA1ENPEPCHRNA1
SCHEMBL9318061 0.83 SLC15A2 (0.60) LNPEPERAP2GRIA1ENPEPCHRNA1

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-20170101459-A1 CLEAVAGE AND EXCHANGE OF MAJOR HISTOCOMPATIBILITY COMPLEX LIGANDS EMPLOYING AZOBENZENE-CONTAINING PEPTIDES STICHTING SANQUIN BLOEDVOORZIENING (NL) 2017-04-13 — — 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-20170101459-A1 CLEAVAGE AND EXCHANGE OF MAJOR HISTOCOMPATIBILITY COMPLEX LIGANDS EMPLOYING AZOBENZENE-CONTAINING PEPTIDES CD74, HLA-B, MICA LNPEP 107/4885ERAP2 570/4885GRIA1 3646/4885

“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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