SCHEMBL1338692

SCHEMBL1338692

CCc1cc(-c2noc(-c3cncc4c3CCC(C)(C)C4)n2)c(C)nc1CCC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.37
S1PR3 Q99500 9/20 0.37

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
SCHEMBL1336484 0.91 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL1742465 0.82 S1PR1 (0.33) S1PR1S1PR3
SCHEMBL2832437 0.81 S1PR1 (0.35) S1PR1S1PR3
SCHEMBL1337394 0.80 S1PR1 (0.42) S1PR1S1PR3
SCHEMBL1337688 0.80 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL1742464 0.79 S1PR1 (0.37) S1PR1S1PR3
SCHEMBL1338511 0.77 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL1338576 0.77 S1PR1 (0.40) S1PR1S1PR3
SCHEMBL1337948 0.74 S1PR1 (0.40) S1PR1S1PR3
SCHEMBL1336483 0.73 S1PR1 (0.52) S1PR1S1PR3

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
EP-2387571-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS Almirall S.A. (ES) 2011-11-23 EP disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 US disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 US disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 US disclosed
US-8041930-B2 Data processing apparatus and method for controlling thread access of register sets when selectively operating in secure and non-secure domains ARM LIMITED (GB) 2011-10-18 US disclosed
EP-2210890-A1 Oxadiazole derivatives as S1P1 receptor agonists Almirall, S.A. (ES) 2010-07-28 EP disclosed
EP-2210890-A1 Oxadiazole derivatives as S1P1 receptor agonists Almirall, S.A. (ES) 2010-07-28 EP disclosed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 WO disclosed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 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-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 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.