SCHEMBL3486341

SCHEMBL3486341

CN(C=O)C(OCc1ccccc1)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 6/20 0.60
▸ DOT1L Q8TEK3 5/20 0.53
▸ HIF1A Q16665 1/20 0.52
▸ TMEM97 Q5BJF2 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.52
▸ ADORA1 P30542 2/20 0.51
▸ CARM1 Q86X55 1/20 0.49
▸ GNMT Q14749 1/20 0.49
▸ EZH2 Q15910 1/20 0.49

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
SCHEMBL536759 0.93 AHCY (0.52) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL2780483 0.91 AHCY (0.49) AHCYDOT1LADORA1
SCHEMBL8362057 0.89 ADORA3 (0.50) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL940909 0.87 ADORA3 (0.49) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL3292851 0.86 AHCY (0.52) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL8982539 0.84 AHCY (0.65) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL4192540 0.83 AHCY (0.66) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL6692383 0.81 AHCY (0.54) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL1972796 0.81 AHCY (0.63) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL8461385 0.80 AHCY (0.51) AHCYDOT1LADORA1CARM1GNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060205671-A1 Compositions and methods for use of a protease inhibitor and adenosine for preventing organ ischemia and reperfusion injury EMORY UNIVERSITY 2006-09-14 — — US claimed
EP-1638579-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2006-03-29 — — EP claimed
WO-2005003150-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2005-01-13 — — WO claimed
US-20100272711-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CARDIOVASCULAR DISEASES THOMAS JEFFERSON UNIVERSITY (US) 2010-10-28 — — US disclosed
US-20100047798-A1 ADENOSINE A1 AND A3 RECEPTOR GENE SEQUENCE VARIATIONS FOR PREDICTING DISEASE OUTCOME AND TREATMENT OUTCOME THOMAS JEFFERSON UNIVERSITY (US) 2010-02-25 — — US disclosed
WO-2009076580-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CARDIOVASCULAR DISEASES THOMAS JEFFERSON UNIVERSITY (US) 2009-06-18 — — WO disclosed
WO-2008058238-A2 ADENOSINE A1 AND A3 RECEPTOR GENE SEQUENCE VARIATIONS FOR PREDICTING DISEASE OUTCOME AND TREATMENT OUTCOME THOMAS JEFFERSON UNIVERSITY (US) 2008-05-15 — — WO disclosed
US-20060205671-A1 Compositions and methods for use of a protease inhibitor and adenosine for preventing organ ischemia and reperfusion injury EMORY UNIVERSITY 2006-09-14 — — US disclosed
EP-1638579-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2006-03-29 — — EP disclosed
WO-2005003150-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2005-01-13 — — 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 (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-20100047798-A1 ADENOSINE A1 AND A3 RECEPTOR GENE SEQUENCE VARIATIONS FOR PREDICTING DISEASE OUTCOME AND TREATMENT OUTCOME ADORA3, ADORA1, ADORA2A AHCY 342/4885DOT1L 4831/4885HIF1A 417/4885
US-20100272711-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CARDIOVASCULAR DISEASES ADORA2A, ADORA1, ADORA2B AHCY 322/4885DOT1L 4882/4885HIF1A 330/4885

“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.

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