SCHEMBL3746800

SCHEMBL3746800

CC(C)Oc1ccc(-c2noc(-c3cccc4c3ccn4CC(=O)O)n2)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.74
MAP4K4 O95819 1/20 0.54
MINK1 Q8N4C8 1/20 0.54
CYP2C9 P11712 1/20 0.54
S1PR3 Q99500 2/20 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
SCHEMBL403364 0.93 S1PR1 (0.85) S1PR1CYP2C9S1PR3
SCHEMBL1965846 0.92 S1PR1 (0.88) S1PR1CYP2C9S1PR3
SCHEMBL1968502 0.91 S1PR1 (0.81) S1PR1MAP4K4MINK1CYP2C9S1PR3
SCHEMBL14176140 0.90 S1PR1 (0.65) S1PR1MAP4K4MINK1CYP2C9S1PR3
SCHEMBL1968118 0.90 S1PR1 (0.69) S1PR1MAP4K4MINK1CYP2C9S1PR3
SCHEMBL1964862 0.90 S1PR1 (0.69) S1PR1MAP4K4MINK1CYP2C9S1PR3
SCHEMBL1964861 0.90 S1PR1 (0.69) S1PR1MAP4K4MINK1CYP2C9S1PR3
SCHEMBL2343720 0.89 S1PR1 (0.68) S1PR1MAP4K4MINK1CYP2C9S1PR3
SCHEMBL2341426 0.89 S1PR1 (0.68) S1PR1MAP4K4MINK1CYP2C9S1PR3
SCHEMBL3216955 0.86 S1PR1 (0.78) S1PR1CYP2C9S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.