SCHEMBL1966432

SCHEMBL1966432

CC(C)Oc1ccc(-c2noc(-c3cccc4c3CCN(CCC(=O)OC(C)(C)C)C4)n2)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.66
S1PR3 Q99500 6/20 0.63
CYP2C9 P11712 1/20 0.57
S1PR5 Q9H228 1/20 0.50
MAP4K4 O95819 1/20 0.49
MINK1 Q8N4C8 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
SCHEMBL1964897 0.93 S1PR1 (0.65) S1PR1S1PR3CYP2C9MAP4K4MINK1
SCHEMBL1964979 0.90 S1PR1 (0.80) S1PR1S1PR3CYP2C9S1PR5MAP4K4
SCHEMBL2990609 0.90 S1PR1 (0.82) S1PR1S1PR3CYP2C9
SCHEMBL1964635 0.86 S1PR1 (0.59) S1PR1S1PR3CYP2C9MAP4K4MINK1
SCHEMBL1965656 0.86 S1PR1 (0.80) S1PR1S1PR3CYP2C9S1PR5MAP4K4
SCHEMBL3664398 0.84 S1PR1 (0.81) S1PR1S1PR3CYP2C9
SCHEMBL3662269 0.83 S1PR1 (0.68) S1PR1S1PR3CYP2C9
SCHEMBL3663121 0.81 S1PR1 (0.82) S1PR1S1PR3CYP2C9S1PR5
Hydrochloric Acid SCHEMBL2993126 0.81 S1PR1 (0.86) S1PR1S1PR3CYP2C9
SCHEMBL13765627 0.80 S1PR1 (0.84) S1PR1S1PR3CYP2C9S1PR5

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 16 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
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 S1PR1 2/4885S1PR3 1/4885CYP2C9 4746/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 S1PR1 2/4885S1PR3 1/4885CYP2C9 4746/4885

“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.