SCHEMBL16447241

SCHEMBL16447241

N=C(N)NCCC[C@H](N[C@@](N)(CCCNC(=N)N)C(=O)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 4/20 0.32
C3AR1 Q16581 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
ALOX15 P16050 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FOLH1 Q04609 1/20 0.30
NPY1R P25929 2/20 0.30
NPY2R P49146 2/20 0.30
NPY5R Q15761 2/20 0.30

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
SCHEMBL16446673 1.00 NPY4R (0.32) NPY4RC3AR1ITGB3ITGA2BALOX15
SCHEMBL2367598 0.96 C3AR1 (0.37) NPY4RC3AR1ITGB3ITGA2B
SCHEMBL6756631 0.96 C3AR1 (0.37) NPY4RC3AR1ITGB3ITGA2B
SCHEMBL30989231 0.89 FOLH1 (0.35) NPY4RC3AR1ITGB3ITGA2BALOX15
SCHEMBL23690778 0.80 MEN1 (0.40) NPY4RC3AR1ITGB3ITGA2BALOX15
SCHEMBL20221707 0.80 MEN1 (0.40) NPY4RC3AR1ITGB3ITGA2BALOX15
SCHEMBL27855641 0.78 ALOX15 (0.35) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL29836396 0.77 ALOX15 (0.39) NPY4RC3AR1ITGB3ITGA2BALOX15
SCHEMBL30068909 0.77 ALOX15 (0.39) NPY4RC3AR1ITGB3ITGA2BALOX15
SCHEMBL28827545 0.76 ALOX15 (0.36) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170119864-A1 SACCHARIDE VACCINE FORMULATION GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-05-04 US disclosed
EP-3030258-A1 SACCHARIDE VACCINE FORMULATION GlaxoSmithKline Biologicals S.A. (BE) 2016-06-15 EP disclosed
WO-2015018753-A1 SACCHARIDE VACCINE FORMULATION GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2015-02-12 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 (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-20170119864-A1 SACCHARIDE VACCINE FORMULATION STT3B, STT3A, DDOST NPY4R 3242/4885C3AR1 2674/4885ITGB3 2191/4885

“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.