SCHEMBL1013774

SCHEMBL1013774

CC(C)(C)OC(=O)CCc1nccc2c(-c3noc(-c4ccc(OCC(F)(F)F)c(Cl)c4)n3)cccc12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.44
S1PR3 Q99500 3/20 0.43
S1PR5 Q9H228 2/20 0.43
CYP2C9 P11712 1/20 0.41
AAK1 Q2M2I8 1/20 0.40

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
SCHEMBL1015094 0.90 S1PR1 (0.52) S1PR1S1PR3S1PR5
SCHEMBL12894304 0.90 S1PR1 (0.43) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL1015055 0.89 S1PR1 (0.49) S1PR1S1PR3S1PR5CYP2C9
Hydrochloric Acid SCHEMBL1081547 0.89 S1PR1 (0.51) S1PR1S1PR3S1PR5
SCHEMBL1013950 0.89 S1PR1 (0.46) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL1015251 0.89 S1PR1 (0.57) S1PR1S1PR3S1PR5AAK1
SCHEMBL1201836 0.88 S1PR1 (0.43) S1PR1S1PR3CYP2C9
Hydrochloric Acid SCHEMBL1014090 0.81 S1PR1 (0.48) S1PR1S1PR3S1PR5
SCHEMBL1014894 0.81 S1PR1 (0.58) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL12881171 0.81 S1PR1 (0.45) S1PR1S1PR3S1PR5CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
EP-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 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-20110039889-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 S1PR1 2320/4885S1PR3 1694/4885S1PR5 1843/4885

“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.