SCHEMBL2619486

SCHEMBL2619486

[C-]#[N+]c1cc(-c2nc(-c3ccc(OCC(=O)O)cc3)no2)ccc1OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.49
S1PR5 Q9H228 8/20 0.49
S1PR3 Q99500 7/20 0.49
MAP4K4 O95819 2/20 0.48
MINK1 Q8N4C8 2/20 0.48
PRKCD Q05655 1/20 0.48
HAVCR2 Q8TDQ0 6/20 0.47
S1PR4 O95977 1/20 0.46
TPH1 P17752 1/20 0.44

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
SCHEMBL2619483 0.90 S1PR1 (0.51) S1PR1S1PR5S1PR3MAP4K4MINK1
SCHEMBL2619454 0.89 MAP4K4 (0.45) S1PR1S1PR5S1PR3MAP4K4MINK1
SCHEMBL2619477 0.89 S1PR1 (0.54) S1PR1S1PR5S1PR3
SCHEMBL2619487 0.89 S1PR1 (0.50) S1PR1S1PR5S1PR3
SCHEMBL2619453 0.83 S1PR1 (0.44) S1PR1S1PR5S1PR3MAP4K4MINK1
SCHEMBL2132920 0.83 S1PR1 (0.62) S1PR1S1PR5S1PR3
SCHEMBL1965651 0.81 MAP4K4 (0.71) S1PR1S1PR5S1PR3MAP4K4MINK1
SCHEMBL2619461 0.79 S1PR1 (0.46) S1PR1S1PR5S1PR3
SCHEMBL2619476 0.79 S1PR1 (0.56) S1PR1S1PR5S1PR3
SCHEMBL2619489 0.79 S1PR1 (0.52) S1PR1S1PR5S1PR3

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-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 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-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 S1PR1 1/4885S1PR5 2/4885S1PR3 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.