SCHEMBL1398451

SCHEMBL1398451

CCOC(=O)CCCn1ncc2cc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)ccc21

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.75
CYP2C9 P11712 2/20 0.56
S1PR3 Q99500 5/20 0.52
MAP4K4 O95819 2/20 0.51
MINK1 Q8N4C8 2/20 0.51
S1PR5 Q9H228 1/20 0.49
PRKCD Q05655 1/20 0.46

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
SCHEMBL1398529 0.95 S1PR1 (0.79) S1PR1CYP2C9S1PR3MAP4K4MINK1
SCHEMBL1398418 0.91 S1PR1 (0.80) S1PR1CYP2C9S1PR3MAP4K4MINK1
SCHEMBL1980495 0.90 S1PR1 (0.61) S1PR1CYP2C9S1PR3MAP4K4MINK1
SCHEMBL1398534 0.90 S1PR1 (0.60) S1PR1CYP2C9S1PR3MAP4K4MINK1
SCHEMBL1398545 0.89 S1PR1 (0.59) S1PR1CYP2C9S1PR3MAP4K4MINK1
SCHEMBL1398432 0.89 S1PR1 (0.59) S1PR1S1PR3S1PR5
SCHEMBL1398448 0.87 S1PR1 (0.84) S1PR1CYP2C9S1PR3MAP4K4MINK1
SCHEMBL404072 0.87 S1PR1 (0.77) S1PR1CYP2C9S1PR3MAP4K4MINK1
SCHEMBL1398478 0.86 S1PR1 (0.66) S1PR1CYP2C9S1PR3S1PR5
SCHEMBL1398520 0.86 S1PR1 (0.76) S1PR1CYP2C9S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
EP-2137181-B1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LTD (GB) 2011-03-02 EP disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 US disclosed
WO-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 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-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS S1PR1, S1PR3, S1PR2 S1PR1 1/4885CYP2C9 3130/4885S1PR3 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.