SCHEMBL13601906

SCHEMBL13601906

Cc1cc(-c2nc(-c3ccc4c(c3)CN([C@H]3C[C@H](C(=O)O)C3)C4)no2)ccc1-c1cccc(C(F)(F)F)c1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.53
S1PR3 Q99500 2/20 0.44
S1PR5 Q9H228 2/20 0.44
DYRK3 O43781 1/20 0.41
MAP4K4 O95819 1/20 0.41
ERBB2 P04626 1/20 0.41
PIM1 P11309 1/20 0.41
MARK3 P27448 1/20 0.41
PLK1 P53350 1/20 0.41
CAMK2B Q13554 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
PIM3 Q86V86 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
SRPK1 Q96SB4 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAP3K20 Q9NYL2 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41

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
SCHEMBL13609293 1.00 S1PR1 (0.53) S1PR1S1PR3S1PR5DYRK3MAP4K4
SCHEMBL13601404 0.94 S1PR1 (0.58) S1PR1S1PR3S1PR5DYRK3MAP4K4
SCHEMBL13608828 0.94 S1PR1 (0.58) S1PR1S1PR3S1PR5DYRK3MAP4K4
SCHEMBL13601824 0.91 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL13601832 0.91 S1PR1 (0.45) S1PR1S1PR3S1PR5DYRK3MAP4K4
SCHEMBL13601902 0.90 S1PR1 (0.46) S1PR1S1PR3S1PR5
SCHEMBL13608781 0.90 S1PR1 (0.46) S1PR1S1PR3S1PR5
SCHEMBL13608461 0.90 S1PR1 (0.49) S1PR1S1PR3S1PR5
SCHEMBL13601911 0.90 S1PR1 (0.49) S1PR1S1PR3S1PR5
SCHEMBL13601823 0.90 S1PR1 (0.46) S1PR1S1PR3S1PR5DYRK3MAP4K4

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-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 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-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR3 4/4885S1PR5 3/4885

“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.