SCHEMBL4281971

SCHEMBL4281971

CC(O)CC(=O)OC(=O)CN(C)C(=N)N

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
CA1 P00915 6/20 0.32
CA2 P00918 6/20 0.32

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
SCHEMBL3812152 0.86 NOS3 (0.39) NOS3NOS1NOS2CA1CA2
SCHEMBL623786 0.84 NOS3 (0.33) NOS3NOS1NOS2CA1CA2
Water SCHEMBL21810558 0.84 NOS3 (0.38) NOS3NOS1NOS2CA1CA2
SCHEMBL3368527 0.83 NOS3 (0.37) NOS3NOS1NOS2
SCHEMBL5345186 0.82 CA1 (0.36) NOS3NOS1NOS2CA1CA2
SCHEMBL1883327 0.81 NOS3 (0.36) NOS3NOS1NOS2ITGB3ITGA2B
SCHEMBL21404061 0.80 CA1 (0.39) NOS3NOS1NOS2CA1CA2
SCHEMBL941222 0.80 ALDH1A1 (0.38) NOS3NOS1NOS2CA1CA2
SCHEMBL1286967 0.79 NOS3 (0.37) NOS3NOS1NOS2CA1CA2
Creatine SCHEMBL4281967 0.79 NOS3 (0.40) NOS3NOS1NOS2CA1CA2

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11806328-B2 Metabolic therapy for wound healing UNIVERSITY OF SOUTH FLORIDA (US) 2023-11-07 US claimed
US-20210093602-A1 METABOLIC THERAPY FOR WOUND HEALING UNIVERSITY OF SOUTH FLORIDA 2021-04-01 US claimed
US-10864184-B1 Metabolic therapy for wound healing UNIVERSITY OF SOUTH FLORIDA (US) 2020-12-15 US claimed
US-20200268701-A1 COMPOSITIONS AND METHODS FOR PRODUCING ELEVATED AND SUSTAINED KETOSIS UNIV SOUTH FLORIDA (US) 2020-08-27 US claimed
US-10646462-B2 Compositions and methods for producing elevated and sustained ketosis UNIVERSITY OF SOUTH FLORIDA (US) 2020-05-12 US claimed
US-20190313682-A1 COMPOSITIONS AND METHODS FOR SUPPLEMENTING THE DIET Metabolic Recovery Systems, LLC 2019-10-17 US claimed
WO-2019200132-A1 COMPOSITIONS AND METHODS FOR SUPPLEMENTING THE DIET Metabolic Recovery Systems, LLC (US) 2019-10-17 WO claimed
EP-2976073-B1 COMPOSITIONS AND METHODS FOR PRODUCING ELEVATED AND SUSTAINED KETOSIS UNIV SOUTH FLORIDA (US) 2019-08-28 EP claimed
US-20180021281-A1 LIPID FORMULATIONS CONTAINING BIOACTIVE FATTY ACIDS AND OTHER BIOACTIVE AGENTS SCIADONICS, INC. 2018-01-25 US claimed
WO-2018017667-A1 LIPID FORMULATIONS CONTAINING BIOACTIVE FATTY ACIDS AND OTHER BIOACTIVE AGENTS SCIADONICS, INC. (US) 2018-01-25 WO claimed
US-20160067207-A1 COMPOSITIONS AND METHODS FOR PRODUCING ELEVATED AND SUSTAINED KETOSIS UNIVERSITY OF SOUTH FLORIDA (US) 2016-03-10 US claimed
EP-2976073-A1 COMPOSITIONS AND METHODS FOR PRODUCING ELEVATED AND SUSTAINED KETOSIS University Of South Florida (US) 2016-01-27 EP claimed
US-9138420-B2 Compositions and methods for producing elevated and sustained ketosis UNIVERSITY OF SOUTH FLORIDA (US) 2015-09-22 US claimed
US-20140350105-A1 COMPOSITIONS AND METHODS FOR PRODUCING ELEVATED AND SUSTAINED KETOSIS UNIVERSITY OF SOUTH FLORIDA (US) 2014-11-27 US claimed
WO-2014153416-A1 COMPOSITIONS AND METHODS FOR PRODUCING ELEVATED AND SUSTAINED KETOSIS UNIVERSITY OF SOUTH FLORIDA (US) 2014-09-25 WO claimed
EP-2567705-A2 Methods of treating cognitive dysfunction by modulating brain energy metabolism Avicena Group, Inc. (US) 2013-03-13 EP claimed
US-20060241021-A1 Methods of treating cognitive dysfunction by modulating brain energy metabolism UNIVERSITY OF CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER 2006-10-26 US claimed
EP-1567180-A2 METHODS OF TREATING COGNITIVE DYSFUNCTION BY MODULATING BRAIN ENERGY METABOLISM Avicena Group, Inc. (US) 2005-08-31 EP claimed
US-20040126366-A1 Methods of treating cognitive dysfunction by modulating brain energy metabolism CINCINNATI, UNIVERSITY OF 2004-07-01 US claimed
WO-2003101402-A2 METHODS OF TREATING COGNITIVE DYSFUNCTION BY MODULATING BRAIN ENERGY METABOLISM AVICENA GROUP, INC. (US) 2003-12-11 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20060241021-A1 Methods of treating cognitive dysfunction by modulating brain energy metabolism PC, PYGB, PCK2 NOS3 728/4885NOS1 822/4885NOS2 694/4885
US-20040126366-A1 Methods of treating cognitive dysfunction by modulating brain energy metabolism PC, PYGB, PCK2 NOS3 728/4885NOS1 822/4885NOS2 694/4885
US-20180021281-A1 LIPID FORMULATIONS CONTAINING BIOACTIVE FATTY ACIDS AND OTHER BIOACTIVE AGENTS FAAH, ELOVL1, DGKA NOS3 1912/4885NOS1 1767/4885NOS2 1862/4885

“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.