SCHEMBL1965060

SCHEMBL1965060

CC(C)Oc1ccc(-c2noc(-c3ccc(CN4CC(C)(C(=O)O)C4)cc3Cl)n2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.67
MINK1 Q8N4C8 3/20 0.67
S1PR1 P21453 17/20 0.53
S1PR3 Q99500 6/20 0.53
S1PR5 Q9H228 2/20 0.53
S1PR4 O95977 1/20 0.49
DYRK3 O43781 1/20 0.48
MARK3 P27448 1/20 0.48
PLK1 P53350 1/20 0.48
MAP4K5 Q9Y4K4 1/20 0.48
CYP2C9 P11712 1/20 0.47
PRKCD Q05655 1/20 0.47

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
SCHEMBL3734653 0.87 MAP4K4 (0.87) MAP4K4MINK1S1PR1S1PR3S1PR5
SCHEMBL13278619 0.82 MAP4K4 (0.67) MAP4K4MINK1S1PR1S1PR3S1PR5
SCHEMBL1965142 0.81 MAP4K4 (0.66) MAP4K4MINK1S1PR1S1PR3S1PR5
SCHEMBL13045475 0.81 MAP4K4 (0.87) MAP4K4MINK1S1PR1S1PR3S1PR5
SCHEMBL3734659 0.80 MAP4K4 (0.77) MAP4K4MINK1S1PR1S1PR3S1PR5
SCHEMBL3739728 0.80 MAP4K4 (0.83) MAP4K4MINK1S1PR1S1PR3S1PR5
SCHEMBL1966060 0.80 MAP4K4 (1.00) MAP4K4MINK1S1PR1S1PR3S1PR5
Acetic Acid SCHEMBL3745831 0.79 MAP4K4 (0.84) MAP4K4MINK1S1PR1S1PR3S1PR5
SCHEMBL1965058 0.79 MAP4K4 (0.68) MAP4K4MINK1S1PR1S1PR3S1PR5
Tert-Butylamine SCHEMBL13278536 0.79 MAP4K4 (0.62) MAP4K4MINK1S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US 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 1243/4885S1PR1 2/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 MAP4K4 2535/4885MINK1 1243/4885S1PR1 2/4885

“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.