SCHEMBL4191476

SCHEMBL4191476

CCC(=O)N(C(=O)CC)C(CCCNC(=N)N)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DPP7 Q9UHL4 1/20 0.30
NPY1R P25929 2/20 0.30
NPY2R P49146 2/20 0.30
NPY4R P50391 2/20 0.30
NPY5R Q15761 2/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 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
SCHEMBL4191486 1.00 OTC (0.33) OTCALOX15MEN1KMT2AGAA
SCHEMBL4280766 0.85 NOD1 (0.39) DPP7
SCHEMBL4273271 0.85 NOD1 (0.39) DPP7
SCHEMBL4274209 0.85 NOD1 (0.39) DPP7
SCHEMBL4267962 0.85 NOD1 (0.39) DPP7
SCHEMBL4272225 0.85 NOD1 (0.39) DPP7
SCHEMBL4272219 0.85 NOD1 (0.39) DPP7
SCHEMBL4271371 0.85 NOD1 (0.39) DPP7
SCHEMBL4272200 0.85 NOD1 (0.39) DPP7
SCHEMBL4274227 0.85 NOD1 (0.39) DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186853-A1 COMPOSITIONS COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J 2009-07-23 US claimed
US-7608250-B2 Cosmetic composition AJINOMOTO CO., INC. (JP) 2009-10-27 US disclosed
US-20090186853-A1 COMPOSITIONS COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J 2009-07-23 US disclosed
EP-1865953-A4 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J (US) 2008-04-30 EP disclosed
EP-1865953-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF Yu, Ruey J., Dr. (US) 2007-12-19 EP disclosed
WO-2006101940-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU, RUEY, J. (US) 2006-09-28 WO disclosed
US-20060029626-A1 Cosmetic composition AJINOMOTO CO., INC. (JP) 2006-02-09 US disclosed
US-20030165448-A1 Cosmetic composition AJINOMOTO CO., INC. (JP) 2003-09-04 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 (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-20030165448-A1 Cosmetic composition CUTA, ARGLU1, ASS1 OTC 536/4885ALOX15 1079/4885MEN1 291/4885
US-20060029626-A1 Cosmetic composition CUTA, NGLY1, ARG1 OTC 308/4885ALOX15 686/4885MEN1 189/4885

“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.