SCHEMBL403049

SCHEMBL403049

CCOC(=O)CCn1cc(Br)c2cc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.61
S1PR3 Q99500 4/20 0.52
S1PR5 Q9H228 1/20 0.51
CYP2C9 P11712 1/20 0.49
MAP4K4 O95819 1/20 0.49
MINK1 Q8N4C8 1/20 0.49

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
SCHEMBL2778960 0.94 S1PR1 (0.63) S1PR1S1PR3S1PR5CYP2C9MAP4K4
SCHEMBL399630 0.90 S1PR1 (0.75) S1PR1S1PR3S1PR5
SCHEMBL403637 0.89 S1PR1 (0.69) S1PR1S1PR3S1PR5CYP2C9MAP4K4
SCHEMBL404571 0.86 S1PR1 (0.81) S1PR1S1PR3S1PR5CYP2C9MAP4K4
SCHEMBL404886 0.85 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL2781745 0.85 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL402844 0.85 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL12662586 0.84 S1PR1 (0.51) S1PR1S1PR3S1PR5
SCHEMBL400378 0.84 S1PR1 (0.77) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL399856 0.83 S1PR1 (0.46) S1PR1

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 2/4885S1PR5 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.