SCHEMBL13601421

SCHEMBL13601421

Cc1cc(-c2nc(-c3ccc4c(c3)CN([C@H]3C[C@H](C(=O)O)C3)C4)no2)cc(C)c1-c1ccoc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.39
MAP4K4 O95819 2/20 0.38
MINK1 Q8N4C8 2/20 0.38
DYRK3 O43781 1/20 0.37
MARK3 P27448 1/20 0.37
PLK1 P53350 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
S1PR4 O95977 8/20 0.37
S1PR5 Q9H228 8/20 0.37
S1PR3 Q99500 6/20 0.37

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
SCHEMBL13608774 0.90 S1PR1 (0.41) S1PR1MAP4K4MINK1S1PR4S1PR5
SCHEMBL13601422 0.90 S1PR1 (0.41) S1PR1MAP4K4MINK1S1PR4S1PR5
SCHEMBL13601438 0.90 S1PR1 (0.41) S1PR1MAP4K4MINK1S1PR4S1PR5
SCHEMBL13601436 0.89 S1PR1 (0.43) S1PR1MAP4K4MINK1DYRK3MARK3
SCHEMBL13601406 0.89 S1PR1 (0.43) S1PR1MAP4K4MINK1DYRK3MARK3
SCHEMBL13601425 0.88 NPC1 (0.43) S1PR1MAP4K4MINK1DYRK3MARK3
SCHEMBL13601413 0.86 S1PR1 (0.39) S1PR1MAP4K4MINK1DYRK3MARK3
SCHEMBL13608721 0.84 GRM5 (0.41) S1PR1
SCHEMBL13601409 0.84 GRM5 (0.41) S1PR1
SCHEMBL13601419 0.84 S1PR1 (0.39) S1PR1MAP4K4MINK1S1PR4S1PR5

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 2 patents. 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
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 1/4885MAP4K4 3675/4885MINK1 712/4885

“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.