SCHEMBL1964676

SCHEMBL1964676

CC(C)Oc1ccc(-c2noc(-c3ccc(NC4CC(C(=O)O)C4)cc3)n2)cc1Cl

nearest known ligand 0.88

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.88
MINK1 Q8N4C8 4/20 0.88
DYRK3 O43781 2/20 0.88
MARK3 P27448 2/20 0.88
PLK1 P53350 2/20 0.88
MAP4K5 Q9Y4K4 2/20 0.88
ERBB2 P04626 1/20 0.68
PIM1 P11309 1/20 0.68
CAMK2B Q13554 1/20 0.68
CDC42BPA Q5VT25 1/20 0.68
PIM3 Q86V86 1/20 0.68
SRPK1 Q96SB4 1/20 0.68
MKNK2 Q9HBH9 1/20 0.68
MAP3K20 Q9NYL2 1/20 0.68
S1PR1 P21453 16/20 0.56
S1PR3 Q99500 6/20 0.56
PRKCD Q05655 1/20 0.53
S1PR5 Q9H228 2/20 0.49
S1PR4 O95977 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
SCHEMBL3746206 0.94 MAP4K4 (1.00) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL12391386 0.94 MAP4K4 (1.00) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL2346100 0.94 MAP4K4 (1.00) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL1969192 0.91 MAP4K4 (0.74) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL2341757 0.90 MAP4K4 (0.93) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL13045687 0.88 MAP4K4 (0.87) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL1965430 0.88 MAP4K4 (0.75) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL2341583 0.85 MAP4K4 (0.79) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL2338187 0.85 MAP4K4 (0.84) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL12391484 0.85 MAP4K4 (0.68) MAP4K4MINK1DYRK3MARK3PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP claimed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US claimed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO claimed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US claimed
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
EP-2109364-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2009-10-21 EP disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 WO disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 MAP4K4 2535/4885MINK1 1243/4885DYRK3 2951/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 MAP4K4 2535/4885MINK1 1243/4885DYRK3 2951/4885

“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.