SCHEMBL403328

SCHEMBL403328

COC(=O)CCCCn1ccc2cc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)ccc21

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.78
S1PR3 Q99500 5/20 0.53
MAP4K4 O95819 3/20 0.50
MINK1 Q8N4C8 3/20 0.50
CYP2C9 P11712 2/20 0.48
S1PR5 Q9H228 1/20 0.48
PRKCD Q05655 1/20 0.47
DYRK3 O43781 1/20 0.47
MARK3 P27448 1/20 0.47
PLK1 P53350 1/20 0.47
MAP4K5 Q9Y4K4 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
SCHEMBL403591 0.93 S1PR1 (0.90) S1PR1S1PR3MAP4K4MINK1CYP2C9
SCHEMBL13261907 0.90 S1PR1 (0.72) S1PR1S1PR3MAP4K4MINK1CYP2C9
SCHEMBL459581 0.90 S1PR1 (0.78) S1PR1S1PR3MAP4K4MINK1CYP2C9
SCHEMBL401604 0.90 S1PR1 (0.92) S1PR1S1PR3MAP4K4MINK1CYP2C9
SCHEMBL404072 0.90 S1PR1 (0.77) S1PR1S1PR3MAP4K4MINK1CYP2C9
SCHEMBL398987 0.88 S1PR1 (1.00) S1PR1S1PR3MAP4K4MINK1CYP2C9
SCHEMBL404571 0.86 S1PR1 (0.81) S1PR1S1PR3MAP4K4MINK1CYP2C9
SCHEMBL404167 0.86 S1PR1 (0.84) S1PR1S1PR3MAP4K4MINK1CYP2C9
SCHEMBL14189656 0.84 S1PR1 (0.73) S1PR1S1PR3MAP4K4MINK1CYP2C9
SCHEMBL1843851 0.84 S1PR1 (0.73) S1PR1S1PR3MAP4K4MINK1CYP2C9

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-2206710-B1 Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2012-07-04 EP disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
EP-2091949-B1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2011-05-18 EP disclosed
EP-2206710-A1 Indole derivatives as S1P1 receptor agonists Glaxo Group Limited (GB) 2010-07-14 EP disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
WO-2008074821-A1 INDOLE 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-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885MAP4K4 2631/4885

“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.