SCHEMBL3029446

SCHEMBL3029446

CCCCCCNc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1

nearest known ligand 0.97

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 13/20 0.97
P2RY6 Q15077 14/20 0.71
P2RY4 P51582 9/20 0.70
PLA2G1B P04054 1/20 0.67
ATG4B Q9Y4P1 1/20 0.67

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
SCHEMBL3029457 1.00 P2RY2 (0.97) P2RY2P2RY6P2RY4PLA2G1BATG4B
SCHEMBL31260663 0.86 P2RY2 (0.78) P2RY2P2RY6P2RY4
SCHEMBL31260661 0.86 P2RY2 (0.78) P2RY2P2RY6P2RY4
SCHEMBL31260665 0.85 P2RY2 (0.77) P2RY2P2RY6P2RY4
SCHEMBL12714933 0.84 P2RY2 (0.76) P2RY2P2RY6P2RY4
SCHEMBL26103138 0.84 P2RY2 (0.75) P2RY2P2RY6P2RY4
SCHEMBL21345250 0.84 P2RY2 (0.75) P2RY2P2RY6P2RY4
SCHEMBL31260676 0.84 P2RY2 (0.75) P2RY2P2RY6P2RY4
Cetyl Alcohol SCHEMBL9511379 0.84 P2RY2 (0.70) P2RY2P2RY6P2RY4
Dodecanol SCHEMBL9509966 0.84 P2RY2 (0.70) P2RY2P2RY6P2RY4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618074-B2 GPCR enhanced neuroprotection to treat brain injury BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-12-31 US claimed
US-20100216735-A1 GPCR ENHANCED NEUROPROTECTION TO TREAT BRAIN INJURY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-08-26 US claimed
WO-2008113072-A2 GPCR ENHANCED NEUROPROTECTION TO TREAT BRAIN INJURY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-09-18 WO claimed
EP-1011688-B1 USE OF URIDINE 5'-DIPHOSPHATE AND ANALOGS THEREOF FOR THE TREATMENT OF LUNG DISEASES UNIV NORTH CAROLINA (US) 2005-02-02 EP claimed
US-6451288-B1 USED IN METHODS OF HYDRATING LUNG MUCUS SECRETIONS AND TREATING LUNG DISORDERS SUCH AS CYSTIC FIBROSIS, VENTILATOR-ASSOCIATED PNEUMONIA, CHRONIC BRONCHITIS, CHRONIC OBSTRUCTIVE PULMONARY DISORDER AND PRIMARY CILIARY DYSKINESIA. THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2002-09-17 US claimed
US-6143279-A HYDRATE LUNG MUSOUS SECRETIONS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-11-07 US claimed
US-20200261541-A1 METHODS OF TREATING MILD BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2020-08-20 US disclosed
US-20180071367-A1 METHODS OF TREATING COGNITIVE IMPAIRMENTS OR DYSFUNCTION OXEIA BIOPHARMACEUTICALS, INC. (US) 2018-03-15 US disclosed
EP-3268021-A1 METHODS OF TREATING COGNITIVE IMPAIRMENTS OR DYSFUNCTION Oxeia Biopharmaceuticals, Inc. (US) 2018-01-17 EP disclosed
US-20170281732-A1 METHODS OF TREATING MILD BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-10-05 US disclosed
US-20170266257-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-09-21 US disclosed
US-20170121385-A1 METHODS OF TREATING NEURODEGENERATIVE CONDITIONS OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-05-04 US disclosed
WO-2016144978-A1 METHODS OF TREATING COGNITIVE IMPAIRMENTS OR DYSFUNCTION OXEIA BIOPHARMACEUTICALS, INC. (US) 2016-09-15 WO disclosed
US-20030125299-A1 Method for treating or preventing inflammatory diseases PETERSON WARD M (US) 2003-07-03 US disclosed
US-6451288-B1 USED IN METHODS OF HYDRATING LUNG MUCUS SECRETIONS AND TREATING LUNG DISORDERS SUCH AS CYSTIC FIBROSIS, VENTILATOR-ASSOCIATED PNEUMONIA, CHRONIC BRONCHITIS, CHRONIC OBSTRUCTIVE PULMONARY DISORDER AND PRIMARY CILIARY DYSKINESIA. THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2002-09-17 US disclosed
US-20020052336-A1 Method of treating gastrointestinal tract disease with purinergic receptor agonists INSPIRE PHARMACEUTICALS, INC. 2002-05-02 US disclosed
US-6143279-A HYDRATE LUNG MUSOUS SECRETIONS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-11-07 US disclosed
EP-1011688-A1 USE OF URIDINE 5'-DIPHOSPHATE AND ANALOGS THEREOF FOR THE TREATMENT OF LUNG DISEASES The University of North Carolina at Chapel Hill (US) 2000-06-28 EP disclosed
US-6022527-A HYDRATING LUNG MUCOUS SECRETIONS BY ADMINISTERING COMPOUNDS OF GIVEN FORMULA; TREATING CYSTIC FIBROSIS, CHRONIC BRONCHITIS, VENTILATOR ASSOCIATED PNEUMONIA AND OTHER LUNG DISEASES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-02-08 US disclosed
WO-1999009998-A1 USE OF URIDINE 5'-DIPHOSPHATE AND ANALOGS THEREOF FOR THE TREATMENT OF LUNG DISEASES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-03-04 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 (8 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-20170266257-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY ATP6V1B2, FABP7, GHSR P2RY2 2284/4885P2RY6 2398/4885P2RY4 2097/4885
US-20100216735-A1 GPCR ENHANCED NEUROPROTECTION TO TREAT BRAIN INJURY P2RY1, P2RY2, P2RY11 P2RY2 2/4885P2RY6 6/4885P2RY4 11/4885
US-20200261541-A1 METHODS OF TREATING MILD BRAIN INJURY FABP7, PYGB, ATP6V1B2 P2RY2 2738/4885P2RY6 3059/4885P2RY4 2618/4885
US-20020052336-A1 Method of treating gastrointestinal tract disease with purinergic receptor agonists P2RY1, P2RY4, P2RX5 P2RY2 4/4885P2RY6 8/4885P2RY4 2/4885
US-20030125299-A1 Method for treating or preventing inflammatory diseases ADORA2B, ADORA2A, P2RY2 P2RY2 3/4885P2RY6 23/4885P2RY4 20/4885
US-20170121385-A1 METHODS OF TREATING NEURODEGENERATIVE CONDITIONS HTT, SNCA, NLN P2RY2 1870/4885P2RY6 1951/4885P2RY4 1502/4885
US-20180071367-A1 METHODS OF TREATING COGNITIVE IMPAIRMENTS OR DYSFUNCTION CRH, PYGB, CHAT P2RY2 3181/4885P2RY6 2671/4885P2RY4 3498/4885
US-20170281732-A1 METHODS OF TREATING MILD BRAIN INJURY ATP6V1B2, GHSR, CRH P2RY2 1512/4885P2RY6 1581/4885P2RY4 1460/4885

“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.