SCHEMBL1398587

SCHEMBL1398587

CCOC(=O)CCn1ncc2cc(-c3noc(-c4ccc(OC(C)C)c(C(F)(F)F)c4)n3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.62
S1PR3 Q99500 5/20 0.52
S1PR5 Q9H228 5/20 0.52
DYRK3 O43781 1/20 0.47
MAP4K4 O95819 1/20 0.47
ERBB2 P04626 1/20 0.47
PIM1 P11309 1/20 0.47
MARK3 P27448 1/20 0.47
PLK1 P53350 1/20 0.47
CAMK2B Q13554 1/20 0.47
CDC42BPA Q5VT25 1/20 0.47
PIM3 Q86V86 1/20 0.47
MINK1 Q8N4C8 1/20 0.47
SRPK1 Q96SB4 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MAP3K20 Q9NYL2 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
CYP2C9 P11712 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
SCHEMBL1398545 0.95 S1PR1 (0.59) S1PR1S1PR3S1PR5DYRK3MAP4K4
SCHEMBL1398493 0.91 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL1398497 0.91 S1PR1 (0.67) S1PR1S1PR3S1PR5DYRK3MAP4K4
SCHEMBL1398478 0.89 S1PR1 (0.66) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL1398529 0.88 S1PR1 (0.79) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL1398463 0.88 S1PR1 (0.68) S1PR1S1PR3S1PR5DYRK3MAP4K4
SCHEMBL3317317 0.87 S1PR1 (0.64) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL1398553 0.86 S1PR1 (0.62) S1PR1S1PR3S1PR5
SCHEMBL1398451 0.84 S1PR1 (0.75) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL1398450 0.83 S1PR1 (0.62) S1PR1S1PR3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
EP-2137181-B1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LTD (GB) 2011-03-02 EP disclosed
EP-2137181-B1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LTD (GB) 2011-03-02 EP disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 US disclosed
EP-2137181-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 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-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) 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.