SCHEMBL1065720

SCHEMBL1065720

CN(CC(=O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(=N)N.[NaH].[NaH]

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MVD P53602 2/20 0.39
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL29050786 1.00 MVD (0.39) MVDNOS3NOS1NOS2CA1
SCHEMBL15514032 0.98 MVD (0.40) MVDNOS3NOS1NOS2CA1
SCHEMBL28000874 0.98 MVD (0.40) MVDNOS3NOS1NOS2CA1
Water SCHEMBL28582154 0.95 MVD (0.40) MVDNOS3NOS1NOS2CA1
SCHEMBL1739489 0.95 MVD (0.42) MVDNOS3NOS1NOS2CA1
SCHEMBL29007316 0.88 NOS3 (0.37) MVDNOS3NOS1NOS2CA1
SCHEMBL4110528 0.86 NOS3 (0.38) MVDNOS3NOS1NOS2CA1
SCHEMBL1065568 0.84 CA4 (0.39) MVDNOS3NOS1NOS2CA1
SCHEMBL27714199 0.84 CA4 (0.39) MVDNOS3NOS1NOS2CA1
SCHEMBL27962723 0.84 CA4 (0.39) MVDNOS3NOS1NOS2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276494-B1 STABLE AQUEOUS COMPOSITIONS COMPRISING BIOACTIVE CREATINE SPECIES OWOC JOHN H (US) 2015-10-21 EP disclosed
US-9114150-B2 Stable aqueous compositions comprising bioactive creatine species JHO INTELLECTUAL PROPERTY HOLDINGS, LLC (US) 2015-08-25 US disclosed
US-20130143842-A1 STABLE AQUEOUS COMPOSITIONS COMPRISING BIOACTIVE CREATINE SPECIES ENERGY BEVERAGES LLC 2013-06-06 US disclosed
US-8372821-B2 Stable aqueous compositions comprising bioactive creatine species ENERGY BEVERAGES LLC 2013-02-12 US disclosed
EP-2276494-A1 STABLE AQUEOUS COMPOSITIONS COMPRISING BIOACTIVE CREATINE SPECIES Owoc, John H. (US) 2011-01-26 EP disclosed
WO-2009126174-A1 STABLE AQUEOUS COMPOSITIONS COMPRISING BIOACTIVE CREATINE SPECIES OWOC JOHN H (US) 2009-10-15 WO disclosed
US-20090257997-A1 Stable Aqueous Compositions Comprising Bioactive Creatine Species ENERGY BEVERAGES LLC 2009-10-15 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-20130143842-A1 STABLE AQUEOUS COMPOSITIONS COMPRISING BIOACTIVE CREATINE SPECIES CKMT1A; CKMT1B, REN, PYGM MVD 3214/4885NOS3 1568/4885NOS1 1779/4885
US-20090257997-A1 Stable Aqueous Compositions Comprising Bioactive Creatine Species CKMT1A; CKMT1B, REN, PYGM MVD 3405/4885NOS3 1291/4885NOS1 1539/4885

“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.