SCHEMBL3747540

SCHEMBL3747540

CC(C)Oc1ccc(-c2noc(CCC(F)(F)F)n2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.53
MAP4K4 O95819 2/20 0.51
MINK1 Q8N4C8 2/20 0.51
PRKCD Q05655 1/20 0.51
S1PR3 Q99500 3/20 0.48
TDP1 Q9NUW8 3/20 0.46
S1PR5 Q9H228 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL13045319 0.89 MAP4K4 (0.53) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3749362 0.86 MAP4K4 (0.54) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3741627 0.85 MAP4K4 (0.53) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3744456 0.84 MAP4K4 (0.53) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3743067 0.84 TDP1 (0.53) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3745599 0.83 MAP4K4 (0.56) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3743601 0.83 TDP1 (0.52) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3736447 0.83 MAP4K4 (0.53) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3740654 0.82 MAP4K4 (0.55) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3743573 0.82 MAP4K4 (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 2 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-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.