SCHEMBL4886455

SCHEMBL4886455

CNC[C@H]1O[C@@H](NC(=O)c2nc[nH]c2N)[C@H](O)[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
AKR1B1 P15121 1/20 0.37
PYGB P11216 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3810831 0.86 CA1 (0.50) CA1CA2CA9AKR1B1PYGB
SCHEMBL9616492 0.86 CA1 (0.50) CA1CA2CA9AKR1B1PYGB
SCHEMBL6934741 0.86 CA1 (0.50) CA1CA2CA9AKR1B1PYGB
SCHEMBL7253811 0.86 CA1 (0.50) CA1CA2CA9AKR1B1PYGB
SCHEMBL18642492 0.86 CA1 (0.50) CA1CA2CA9AKR1B1PYGB
SCHEMBL3810098 0.85 PNP (0.40) CA1CA2CA9AKR1B1PYGB
SCHEMBL4885009 0.84 ALDH1A1 (0.41) GAA
SCHEMBL4251158 0.81 FBP1 (0.47)
SCHEMBL3814606 0.78 PYGB (0.40) CA1CA2CA9AKR1B1PYGB
SCHEMBL3816161 0.77 CA1 (0.37) CA1CA2CA9AKR1B1PYGB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216335-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS INC (US) 2017-08-03 US disclosed
US-9539274-B2 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient PERICOR THERAPEUTICS, INC. (US) 2017-01-10 US disclosed
US-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS, INC. 2015-10-01 US disclosed
US-8993527-B2 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient PERICOR THERAPEUTICS, INC. (US) 2015-03-31 US disclosed
EP-2594273-A1 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient Pericor Therapeutics, Inc. (US) 2013-05-22 EP disclosed
US-20080175891-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS, INC. 2008-07-24 US disclosed
US-20060293273-A1 Methods, Compositions, and Formulations for Preventing or Reducing Adverse Effects in a Patient PERICOR THERAPEUTICS, INC. 2006-12-28 US disclosed
EP-0495091-B1 AICA RIBOSIDE ANALOGS METABASIS THERAPEUTICS INC (US) 1999-11-24 EP disclosed
US-5777100-A INCREASING LEVELS OF ADENOSINE, CARDIOVASCULAR, ISCHEMIA GENSIA INC. (US) 1998-07-07 US disclosed
WO-1992002213-A1 METHODS OF PREVENTING OR DECREASING TISSUE DAMAGE BY NOVEL ANTIOXIDANTS AND FREE RADICAL SCAVENGERS GENSIA PHARMACEUTICALS, INC. (US) 1992-02-20 WO disclosed
WO-1992002214-A1 AICA RIBOSIDE ANALOGS GENSIA PHARMACEUTICALS, INC. (US) 1992-02-20 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 (4 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-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT TNNC1, ASAH2, PGF CA1 205/4885CA2 324/4885CA9 445/4885
US-20060293273-A1 Methods, Compositions, and Formulations for Preventing or Reducing Adverse Effects in a Patient TNNC1, ASAH2, PGF CA1 205/4885CA2 324/4885CA9 445/4885
US-20080175891-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT NNT, PGF, GART CA1 582/4885CA2 336/4885CA9 1302/4885
US-20170216335-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT TNNC1, ASAH2, PGF CA1 205/4885CA2 324/4885CA9 445/4885

“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.