SCHEMBL2934987

SCHEMBL2934987

CC(C)Oc1ccc(-c2nc(-c3ccc(Cn4ccc(C(=O)O)n4)cc3Br)no2)cc1C#N

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.59
S1PR3 Q99500 11/20 0.59
S1PR5 Q9H228 10/20 0.59
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL2934947 0.99 S1PR1 (0.58) S1PR1S1PR3S1PR5CYP3A4CYP2C9
SCHEMBL2934951 0.99 S1PR1 (0.58) S1PR1S1PR3S1PR5CYP3A4CYP2C9
SCHEMBL2934948 0.93 S1PR1 (0.56) S1PR1S1PR3S1PR5CYP3A4CYP2C9
SCHEMBL2934772 0.91 S1PR1 (0.56) S1PR1S1PR3S1PR5CYP3A4CYP2C9
SCHEMBL2927101 0.91 S1PR1 (0.57) S1PR1S1PR3S1PR5KCNH2
SCHEMBL2934990 0.90 S1PR1 (0.57) S1PR1S1PR3S1PR5CYP3A4CYP2C9
SCHEMBL13488972 0.88 S1PR1 (0.57) S1PR1S1PR3S1PR5CYP3A4CYP2C9
SCHEMBL14180953 0.87 S1PR1 (0.54) S1PR1S1PR3S1PR5CYP3A4CYP2C9
SCHEMBL2933550 0.83 S1PR1 (0.54) S1PR1S1PR3S1PR5KCNH2
SCHEMBL2927103 0.80 S1PR1 (0.56) S1PR1S1PR3S1PR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091950-B1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP claimed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US claimed
EP-2091950-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP claimed
WO-2008074820-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO claimed
EP-2091950-B1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP disclosed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
EP-2091950-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
WO-2008074820-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 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 (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-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR5 4/4885

“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.