SCHEMBL2934653

SCHEMBL2934653

CC(C)Oc1ccc(-c2nc(-c3ccc(Cn4ccc(C(=O)O)n4)cc3)no2)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.57
S1PR3 Q99500 4/20 0.57
S1PR5 Q9H228 4/20 0.57
MAP4K4 O95819 2/20 0.50
MINK1 Q8N4C8 2/20 0.50
DYRK3 O43781 1/20 0.50
ERBB2 P04626 1/20 0.50
PIM1 P11309 1/20 0.50
MARK3 P27448 1/20 0.50
PLK1 P53350 1/20 0.50
CAMK2B Q13554 1/20 0.50
CDC42BPA Q5VT25 1/20 0.50
PIM3 Q86V86 1/20 0.50
SRPK1 Q96SB4 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
MAP3K20 Q9NYL2 1/20 0.50
MAP4K5 Q9Y4K4 1/20 0.50
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48

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
SCHEMBL2933568 0.92 S1PR1 (0.54) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL2936368 0.92 S1PR1 (0.54) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL2932163 0.91 S1PR1 (0.66) S1PR1S1PR5
SCHEMBL2930303 0.88 MAP4K4 (0.61) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL2934461 0.86 S1PR1 (0.47) S1PR1S1PR3S1PR5
SCHEMBL2927101 0.85 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL2935830 0.85 S1PR1 (0.47) S1PR1S1PR3S1PR5
SCHEMBL2935838 0.85 S1PR1 (0.47) S1PR1S1PR3S1PR5
SCHEMBL2934452 0.83 S1PR1 (0.64) S1PR1S1PR3S1PR5
SCHEMBL2933616 0.82 S1PR1 (0.62) S1PR1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091950-B1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP claimed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US claimed
EP-2091950-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP claimed
WO-2008074820-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO claimed
EP-2091950-B1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP disclosed
EP-2091950-B1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP disclosed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
EP-2091950-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
WO-2008074820-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074820-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 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 (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-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR5 4/4885

“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.