SCHEMBL2140132

SCHEMBL2140132

CC(C)Oc1ccc(-c2nc(-c3ccnc(Br)c3)no2)cc1C#N

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.63
S1PR3 Q99500 12/20 0.61
KCNH2 Q12809 2/20 0.57
XDH P47989 1/20 0.54
S1PR5 Q9H228 4/20 0.54
S1PR2 O95136 2/20 0.54
S1PR4 O95977 2/20 0.54

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
SCHEMBL1878972 0.86 S1PR1 (0.62) S1PR1S1PR3KCNH2XDHS1PR5
SCHEMBL2134973 0.83 S1PR1 (0.63) S1PR1S1PR3KCNH2S1PR5S1PR2
SCHEMBL2131514 0.82 S1PR1 (0.65) S1PR1S1PR3KCNH2S1PR5S1PR2
SCHEMBL1875481 0.82 S1PR1 (0.62) S1PR1S1PR3KCNH2S1PR5S1PR2
SCHEMBL22628894 0.82 S1PR1 (0.61) S1PR1S1PR3KCNH2S1PR5S1PR2
SCHEMBL3415661 0.81 S1PR1 (0.64) S1PR1S1PR3KCNH2XDHS1PR5
SCHEMBL2135991 0.81 S1PR1 (0.72) S1PR1S1PR3KCNH2XDHS1PR5
SCHEMBL23813101 0.81 XDH (0.68) S1PR1S1PR3XDH
SCHEMBL1878046 0.80 S1PR1 (0.65) S1PR1S1PR3KCNH2S1PR5S1PR2
SCHEMBL3418293 0.80 S1PR1 (0.60) S1PR1S1PR3KCNH2XDHS1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445891-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-02 EP disclosed
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
WO-2010148649-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 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-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 S1PR1 1/4885S1PR3 3/4885KCNH2 1529/4885

“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.