SCHEMBL1967407

SCHEMBL1967407

CC(C)Oc1ccc(-c2noc(-c3ccc(CN4CC(C(=O)O)C4)cc3)n2)cc1C#N

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.78
MINK1 Q8N4C8 1/20 0.78
S1PR1 P21453 19/20 0.70
S1PR5 Q9H228 11/20 0.70
S1PR4 O95977 8/20 0.70
S1PR3 Q99500 7/20 0.63

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
Hydrochloric Acid SCHEMBL28656544 0.90 MAP4K4 (0.68) MAP4K4MINK1S1PR1S1PR5S1PR4
Hydrochloric Acid SCHEMBL28645680 0.90 MAP4K4 (0.63) MAP4K4MINK1S1PR1S1PR5S1PR4
SCHEMBL3739701 0.88 MAP4K4 (0.83) MAP4K4MINK1S1PR1S1PR5S1PR4
SCHEMBL1966060 0.88 MAP4K4 (1.00) MAP4K4MINK1S1PR1S1PR5S1PR4
SCHEMBL3738285 0.85 MAP4K4 (0.79) MAP4K4MINK1S1PR1S1PR5S1PR4
Hydrochloric Acid SCHEMBL28651669 0.85 MAP4K4 (0.61) MAP4K4MINK1S1PR1S1PR5S1PR4
SCHEMBL3739653 0.85 MAP4K4 (0.78) MAP4K4MINK1S1PR1S1PR5S1PR4
SCHEMBL24176950 0.84 S1PR1 (0.62) MAP4K4MINK1S1PR1S1PR5S1PR3
SCHEMBL30438809 0.84 S1PR1 (0.62) MAP4K4MINK1S1PR1S1PR5S1PR3
SCHEMBL28636393 0.84 S1PR1 (0.60) MAP4K4MINK1S1PR1S1PR5S1PR4

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.