SCHEMBL5059979

SCHEMBL5059979

NCCCC[C@H](N)C(=O)NC(=O)CI

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.50
GNAI3 P08754 1/20 0.47
GNAO1 P09471 1/20 0.47
GNAI1 P63096 1/20 0.47
DPP7 Q9UHL4 7/20 0.44
DPP8 Q6V1X1 3/20 0.44
DPP9 Q86TI2 3/20 0.44
SLC15A1 P46059 1/20 0.42
MMP2 P08253 1/20 0.41
TERT O14746 5/20 0.40
DPP4 P27487 2/20 0.39
TLR2 O60603 2/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL16430142 0.85 GSR (0.53) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL17982113 0.85 GSR (0.53) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL5499007 0.85 GSR (0.61) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL5495401 0.83 GSR (0.59) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL19088201 0.79 GSR (0.55) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL7294153 0.78 GNAI3 (0.54) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL29989156 0.76 GSR (0.57) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL5491543 0.76 GNAI3 (0.64) GNAI3GNAO1GNAI1DPP7DPP8
SCHEMBL4647979 0.76 GNAI3 (0.64) GNAI3GNAO1GNAI1DPP7DPP8
SCHEMBL4647986 0.76 GNAI3 (0.64) GNAI3GNAO1GNAI1DPP7DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081343-A1 Differential labeling for quantitative analysis of complex protein mixtures SYNGENTA PARTICIPATIONS AG (CH) 2008-04-03 US disclosed
US-7166436-B2 Differential labeling for quantitative analysis of complex protein mixtures SYNGENTA PARTICIPATIONS, AG (CH) 2007-01-23 US disclosed
EP-1428019-A4 SYSTEM AND METHOD OF DETERMINING PROTEOMIC DIFFERENCES SYNGENTA PARTICIPATIONS AG (CH) 2006-04-26 EP disclosed
US-20060004525-A1 System and method of determining proteomic differences SYNGENTA PARTICIPATIONS AG 2006-01-05 US disclosed
US-6969757-B2 Differential labeling for quantitative analysis of complex protein mixtures SYNGENTA PARTICIPATIONS AG (CH) 2005-11-29 US disclosed
WO-2002059144-A9 DIFFERENTIAL LABELING FOR QUANTITATIVE ANALYSIS OF COMPLEX PROTEIN MIXTURES SYNGENTA PARTICIPATIONS AG (US) 2004-08-12 WO disclosed
EP-1428019-A2 SYSTEM AND METHOD OF DETERMINING PROTEOMIC DIFFERENCES Syngenta Participations AG (CH) 2004-06-16 EP disclosed
WO-2003006951-A9 SYSTEM AND METHOD OF DETERMINING PROTEOMIC DIFFERENCES SYNGENTA PARTICIPATIONS AG (CH) 2004-05-13 WO disclosed
US-20030087329-A1 Differential labeling for quantitative analysis of complex protein mixtures SYNGENTA PARTICIPATIONS AG (CH) 2003-05-08 US disclosed
US-20030082522-A1 Differential labeling for quantitative analysis of complex protein mixtures SYNGENTA PARTICIPATIONS AG (CH) 2003-05-01 US disclosed
US-20030068825-A1 System and method of determining proteomic differences SYNGENTA PARTICIPATIONS AG (CH) 2003-04-10 US disclosed
WO-2003006951-A2 SYSTEM AND METHOD OF DETERMINING PROTEOMIC DIFFERENCES SYNGENTA PARTICIPATIONS AG (CH) 2003-01-23 WO disclosed
WO-2002059144-A2 DIFFERENTIAL LABELING FOR QUANTITATIVE ANALYSIS OF COMPLEX PROTEIN MIXTURES SYNGENTA PARTICIPATION AG (US) 2002-08-01 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 (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-20030087329-A1 Differential labeling for quantitative analysis of complex protein mixtures RPS27A, PSMG3, MRTO4 GSR 3105/4885GNAI3 863/4885GNAO1 1030/4885
US-20030082522-A1 Differential labeling for quantitative analysis of complex protein mixtures RPS27A, PSMG3, MRTO4 GSR 3105/4885GNAI3 863/4885GNAO1 1030/4885

“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.