SCHEMBL3070532

SCHEMBL3070532

CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCCN(C(C(=O)O)C3CCCc5cc(-c6noc(-c7ccc(OC(C)C)c(Cl)c7)n6)ccc5N3)C4)no2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.55
S1PR3 Q99500 9/20 0.55
MAP4K4 O95819 2/20 0.48
MINK1 Q8N4C8 2/20 0.48
DYRK3 O43781 1/20 0.48
MARK3 P27448 1/20 0.48
PLK1 P53350 1/20 0.48
MAP4K5 Q9Y4K4 1/20 0.48
KCNH2 Q12809 1/20 0.46

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
SCHEMBL3070539 0.84 S1PR1 (0.58) S1PR1S1PR3MAP4K4MINK1KCNH2
SCHEMBL2998264 0.82 S1PR1 (0.62) S1PR1S1PR3MAP4K4MINK1KCNH2
SCHEMBL3057688 0.78 S1PR1 (0.71) S1PR1S1PR3MAP4K4MINK1
SCHEMBL2989163 0.75 S1PR1 (0.60) S1PR1S1PR3MAP4K4MINK1KCNH2
SCHEMBL2993963 0.75 S1PR1 (0.57) S1PR1S1PR3MAP4K4MINK1KCNH2
SCHEMBL1965044 0.75 S1PR1 (0.66) S1PR1S1PR3MAP4K4MINK1DYRK3
SCHEMBL13045463 0.74 S1PR1 (0.75) S1PR1S1PR3MAP4K4MINK1
SCHEMBL10455334 0.73 S1PR1 (0.62) S1PR1S1PR3MAP4K4MINK1KCNH2
SCHEMBL2989389 0.73 S1PR1 (0.84) S1PR1S1PR3MAP4K4MINK1
SCHEMBL2993956 0.73 S1PR1 (0.63) S1PR1S1PR3MAP4K4MINK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273771-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-10-28 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-20100273771-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) S1PR3, S1PR1, S1PR2 S1PR1 2/4885S1PR3 1/4885MAP4K4 1850/4885

“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.