SCHEMBL1981109

SCHEMBL1981109

CCOC(=O)CCCn1ncc2cc(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)c(C)cc21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.56
S1PR5 Q9H228 9/20 0.56
S1PR3 Q99500 9/20 0.56
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL12601139 0.94 S1PR1 (0.54) S1PR1S1PR5S1PR3CYP3A4CYP2C9
SCHEMBL2030568 0.93 S1PR1 (0.52) S1PR1S1PR5S1PR3CYP3A4CYP2C9
SCHEMBL1981953 0.93 S1PR1 (0.52) S1PR1S1PR5S1PR3CYP3A4CYP2C9
SCHEMBL12600665 0.92 S1PR1 (0.65) S1PR1S1PR5S1PR3
SCHEMBL1398432 0.91 S1PR1 (0.59) S1PR1S1PR5S1PR3KCNH2
SCHEMBL1980495 0.89 S1PR1 (0.61) S1PR1S1PR5S1PR3CYP2C9
SCHEMBL3311581 0.88 S1PR1 (0.61) S1PR1S1PR5S1PR3CYP2C9
SCHEMBL13644166 0.87 S1PR1 (0.53) S1PR1S1PR5S1PR3CYP3A4CYP2C9
SCHEMBL1398553 0.86 S1PR1 (0.62) S1PR1S1PR5S1PR3KCNH2
SCHEMBL2006447 0.86 S1PR1 (0.56) S1PR1S1PR5S1PR3CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
EP-2513095-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-10-24 EP disclosed
WO-2011072488-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-06-23 WO disclosed
WO-2011072488-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-06-23 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-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR5 4/4885S1PR3 2/4885

“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.