SCHEMBL3948451

SCHEMBL3948451

NCCCCC(N)C(=O)N(C(=O)CN)C(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.37
CPB2 Q96IY4 3/20 0.33
CPB1 P15086 1/20 0.33
MMP2 P08253 1/20 0.31
ARG1 P05089 1/20 0.31
SLC15A2 Q16348 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL15023743 0.95 GSR (0.35) GSRCPB2CPB1
SCHEMBL259086 0.92 GSR (0.34) GSRCPB2CPB1SLC15A2ITGB3
SCHEMBL5155910 0.91 GSR (0.33) GSRCPB2CPB1SLC15A2ITGB3
SCHEMBL11028922 0.89 CYP1A2 (0.32)
SCHEMBL5884482 0.87 GSR (0.38) GSRCPB2CPB1MMP2ARG1
SCHEMBL3194235 0.84
SCHEMBL5050431 0.84
SCHEMBL9747723 0.84 MMP2 (0.42) GSRCPB2MMP2ITGB3ITGA2B
SCHEMBL5598728 0.82 SLC15A2 (0.33) CPB2CPB1SLC15A2
SCHEMBL5598853 0.81 GSR (0.31) GSRCPB2CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521477-B2 Vitamin C derivatives with peptide, preparation method thereof and composition comprising the same PEPTRON CO., LTD. (KR) 2009-04-21 US claimed
EP-1618125-A4 VITAMIN C DERIVATIVES WITH PEPTIDE, PREPARATION METHOD THEREOF AND COMPOSITION COMPRISING THE SAME PEPTRON CO LTD (KR) 2008-03-26 EP claimed
US-20070093425-A1 Vitamin c derivatives with peptide, preparation method thereof and composition comprising the same PEPTRON CO., LTD. (KR) 2007-04-26 US claimed
EP-1618125-A1 VITAMIN C DERIVATIVES WITH PEPTIDE, PREPARATION METHOD THEREOF AND COMPOSITION COMPRISING THE SAME Petron Co., Ltd. (KR) 2006-01-25 EP claimed
WO-2004096837-A1 VITAMIN C DERIVATIVES WITH PEPTIDE, PREPARATION METHOD THEREOF AND COMPOSITION COMPRISING THE SAME PEPTRON CO., LTD (KR) 2004-11-11 WO claimed
US-7521477-B2 Vitamin C derivatives with peptide, preparation method thereof and composition comprising the same PEPTRON CO., LTD. (KR) 2009-04-21 US disclosed
EP-1618125-A4 VITAMIN C DERIVATIVES WITH PEPTIDE, PREPARATION METHOD THEREOF AND COMPOSITION COMPRISING THE SAME PEPTRON CO LTD (KR) 2008-03-26 EP disclosed
US-20070093425-A1 Vitamin c derivatives with peptide, preparation method thereof and composition comprising the same PEPTRON CO., LTD. (KR) 2007-04-26 US disclosed
EP-1618125-A1 VITAMIN C DERIVATIVES WITH PEPTIDE, PREPARATION METHOD THEREOF AND COMPOSITION COMPRISING THE SAME Petron Co., Ltd. (KR) 2006-01-25 EP disclosed
WO-2004096837-A1 VITAMIN C DERIVATIVES WITH PEPTIDE, PREPARATION METHOD THEREOF AND COMPOSITION COMPRISING THE SAME PEPTRON CO., LTD (KR) 2004-11-11 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-20070093425-A1 Vitamin c derivatives with peptide, preparation method thereof and composition comprising the same PROC, CTRC, GC GSR 1879/4885CPB2 279/4885CPB1 178/4885

“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.