SCHEMBL7791775

SCHEMBL7791775

CCC(=O)CCCCC[C@H](N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.53
NOS1 P29475 5/20 0.50
NOS2 P35228 4/20 0.50
DDAH1 O94760 3/20 0.50
ALDH1A1 P00352 1/20 0.50
ARG2 P78540 4/20 0.48
ARG1 P05089 3/20 0.48
NOD1 Q9Y239 2/20 0.48
NOS3 P29474 2/20 0.47
CYP1A2 P05177 2/20 0.47
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
GRM8 O00222 1/20 0.47
GRM6 O15303 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRM5 P41594 1/20 0.47
GRIA1 P42261 1/20 0.47

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
SCHEMBL7362969 1.00 GSR (0.53) GSRNOS1NOS2DDAH1ALDH1A1
SCHEMBL3486168 0.98 GSR (0.55) GSRNOS1NOS2DDAH1ALDH1A1
SCHEMBL28007955 0.87 GRIK1 (0.59) GSRNOS1NOS2DDAH1ALDH1A1
SCHEMBL27363028 0.87 GRIK1 (0.59) GSRNOS1NOS2DDAH1ALDH1A1
SCHEMBL28007603 0.87 GRIK1 (0.59) GSRNOS1NOS2DDAH1ALDH1A1
SCHEMBL28921485 0.87 GRIK1 (0.59) GSRNOS1NOS2DDAH1ALDH1A1
SCHEMBL28007614 0.87 GRIK1 (0.59) GSRNOS1NOS2DDAH1ALDH1A1
SCHEMBL28818201 0.87 GRIK1 (0.59) GSRNOS1NOS2DDAH1ALDH1A1
SCHEMBL9259268 0.85 ALDH1A1 (0.46) GSRNOS1NOS2DDAH1ALDH1A1
SCHEMBL15342759 0.84 GRIK1 (0.60) GSRNOS1DDAH1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200289611-A1 Methods and Compositions for the Inhibition of Quorum Sensing in Bacterial Infections UNIVERSITY OF NORTH CAROLINA AT GREENSBORO 2020-09-17 US disclosed
WO-2019219938-A1 FMOC PROTECTED (2S)-2-AMINO-8-[(1,1-DIMETHYLETHOXY)AMINO]-8-OXO-OCTANOIC ACID, (S)-2-AMINO-8-OXONONANOIC ACID AND (S)-2-AMINO-8-OXODECANOIC ACID FOR PEPTIDE SYNTHESIS THE UNIVERSITY COURT OF THE UNIVERISTY OF GLASGOW (GB) 2019-11-21 WO disclosed
WO-2017197303-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF QUORUM SENSING IN BACTERIAL INFECTIONS UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2017-11-16 WO disclosed
EP-1150998-A1 PROCESS FOR THE PREPARATION OF CYCLIC TETRAPEPTIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-11-07 EP disclosed
WO-2000047608-A1 PROCESS FOR THE PREPARATION OF CYCLIC TETRAPEPTIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-08-17 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-20200289611-A1 Methods and Compositions for the Inhibition of Quorum Sensing in Bacterial Infections PYCARD, LASP1, API5 GSR 3004/4885NOS1 633/4885NOS2 480/4885

“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.