SCHEMBL403313

SCHEMBL403313

CCOc1ccc(-c2nc(-c3ccc4c(c3)c(Cl)cn4CCC(=O)O)no2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.61
S1PR3 Q99500 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL403557 0.93 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL2781745 0.91 S1PR1 (0.51) S1PR1S1PR3SMN1; SMN2KDM4ENPC1
SCHEMBL401009 0.91 S1PR1 (0.57) S1PR1S1PR3SMN1; SMN2KDM4ENPC1
SCHEMBL403270 0.91 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL400378 0.89 S1PR1 (0.77) S1PR1S1PR3
SCHEMBL401849 0.87 S1PR1 (0.57) S1PR1S1PR3
SCHEMBL4251750 0.86 S1PR1 (0.56) S1PR1S1PR3SMN1; SMN2NPC1
SCHEMBL398412 0.86 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL1841201 0.85 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL402844 0.84 S1PR1 (0.51) S1PR1S1PR3SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206710-A1 Indole derivatives as S1P1 receptor agonists Glaxo Group Limited (GB) 2010-07-14 EP claimed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US claimed
EP-2091949-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP claimed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO claimed
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-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
EP-2091949-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO 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 2/4885SMN1; SMN2 3403/4885

“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.