SCHEMBL3663310

SCHEMBL3663310

CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCN(CCC(=O)O)C4)no2)cc1C#N

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.86
S1PR5 Q9H228 1/20 0.82
S1PR3 Q99500 9/20 0.77

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
Hydrochloric Acid SCHEMBL3073695 0.99 S1PR1 (0.85) S1PR1S1PR5S1PR3
SCHEMBL3076256 0.96 S1PR1 (0.88) S1PR1S1PR5S1PR3
Hydrochloric Acid SCHEMBL3063115 0.95 S1PR1 (0.86) S1PR1S1PR5S1PR3
SCHEMBL12852172 0.93 S1PR1 (0.79) S1PR1S1PR5S1PR3
SCHEMBL2602116 0.92 S1PR1 (1.00) S1PR1S1PR5S1PR3
Hydrochloric Acid SCHEMBL3068164 0.92 S1PR1 (0.98) S1PR1S1PR5S1PR3
SCHEMBL2602060 0.90 S1PR1 (1.00) S1PR1S1PR5S1PR3
Formic Acid SCHEMBL3062406 0.90 S1PR1 (0.75) S1PR1S1PR5S1PR3
Formic Acid SCHEMBL3660538 0.90 S1PR1 (0.94) S1PR1S1PR5S1PR3
SCHEMBL2123242 0.90 S1PR1 (0.99) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225233-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) Glaxo Group Limited (GB) 2010-09-08 EP claimed
WO-2009080724-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2009-07-02 WO claimed
EP-2746254-A2 Oxadiazole derivative active on sphingosine-1-phosphate (s1p) Glaxo Group Limited (GB) 2014-06-25 EP disclosed
US-8278324-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (S1P) GLAXO GROUP LIMITED (GB) 2012-10-02 US disclosed
US-20100273827-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1p) GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
EP-2225233-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) Glaxo Group Limited (GB) 2010-09-08 EP disclosed
US-20100152235-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2010-06-17 US disclosed
US-20100152235-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2010-06-17 US disclosed
WO-2009080724-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080724-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2009-07-02 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 (2 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-20100152235-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) S1PR3, S1PR1, S1PR2 S1PR1 2/4885S1PR5 5/4885S1PR3 1/4885
US-20100273827-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1p) S1PR3, S1PR1, S1PR2 S1PR1 2/4885S1PR5 5/4885S1PR3 1/4885

“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.