SCHEMBL1970427

SCHEMBL1970427

CC(C)Oc1ccc(-c2noc(-c3cccc(C#N)c3)n2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.61
MAP4K4 O95819 2/20 0.56
MINK1 Q8N4C8 2/20 0.56
PRKCD Q05655 1/20 0.56
S1PR3 Q99500 4/20 0.56
CHRNB2 P17787 1/20 0.53
CHRNA5 P30532 1/20 0.53
CHRNA4 P43681 1/20 0.53

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
SCHEMBL1965397 0.89 MAP4K4 (0.63) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3741047 0.86 S1PR1 (0.73) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3746233 0.85 MAPT (0.68) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL1962843 0.85 S1PR1 (0.56) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3741171 0.84 MAP4K4 (0.65) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL14176549 0.84 S1PR1 (0.61) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3736292 0.82 S1PR1 (0.59) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL13045365 0.81 S1PR1 (0.64) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3734870 0.81 NPSR1 (0.67) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3745576 0.81 S1PR1 (0.58) S1PR1MAP4K4MINK1PRKCDS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 S1PR1 2/4885MAP4K4 2535/4885MINK1 1243/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 S1PR1 2/4885MAP4K4 2535/4885MINK1 1243/4885

“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.