SCHEMBL1965063

SCHEMBL1965063

CC(C)Oc1ccc(-c2noc(-c3ccc(OC(C)CC(C)C(=O)O)cc3)n2)cc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.64
S1PR5 Q9H228 5/20 0.64
S1PR3 Q99500 4/20 0.64
MAP4K4 O95819 3/20 0.57
MINK1 Q8N4C8 3/20 0.57
DYRK3 O43781 1/20 0.57
ERBB2 P04626 1/20 0.57
PIM1 P11309 1/20 0.57
MARK3 P27448 1/20 0.57
PLK1 P53350 1/20 0.57
CAMK2B Q13554 1/20 0.57
CDC42BPA Q5VT25 1/20 0.57
PIM3 Q86V86 1/20 0.57
SRPK1 Q96SB4 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57
MAP3K20 Q9NYL2 1/20 0.57
MAP4K5 Q9Y4K4 1/20 0.57
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47

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
SCHEMBL1968127 1.00 S1PR1 (0.64) S1PR1S1PR5S1PR3MAP4K4MINK1
SCHEMBL12391793 1.00 S1PR1 (0.64) S1PR1S1PR5S1PR3MAP4K4MINK1
SCHEMBL1968131 1.00 S1PR1 (0.64) S1PR1S1PR5S1PR3MAP4K4MINK1
SCHEMBL12391789 0.90 S1PR1 (0.57) S1PR1S1PR5S1PR3MAP4K4MINK1
SCHEMBL2336358 0.88 MAP4K4 (0.62) S1PR1S1PR5S1PR3MAP4K4MINK1
SCHEMBL1964647 0.88 MAP4K4 (0.62) S1PR1S1PR5S1PR3MAP4K4MINK1
SCHEMBL12391784 0.87 MAP4K4 (0.56) S1PR1S1PR5S1PR3MAP4K4MINK1
SCHEMBL12391757 0.83 MAP4K4 (0.56) S1PR1S1PR5S1PR3MAP4K4MINK1
SCHEMBL1969682 0.81 MAP4K4 (0.57) S1PR1S1PR5S1PR3MAP4K4MINK1
SCHEMBL1969680 0.81 MAP4K4 (0.57) S1PR1S1PR5S1PR3MAP4K4MINK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 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 (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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 S1PR1 2/4885S1PR5 4/4885S1PR3 1/4885

“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.