SCHEMBL1337962

SCHEMBL1337962

CC1(C)CCc2c(cncc2-c2nc(-c3ccc(S(=O)(=O)NCCC(=O)OC(C)(C)C)c(Cl)c3)no2)C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.32
S1PR3 Q99500 5/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KA P42356 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
BDKRB1 P46663 2/20 0.30

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
SCHEMBL1338485 0.91 S1PR1 (0.37) S1PR1S1PR3PIK3CDPIK3CBPIK3CG
SCHEMBL1743669 0.90 PIK3CD (0.32) S1PR1S1PR3PIK3CDPIK3CBPIK3CG
SCHEMBL1338064 0.89 HDAC4 (0.36) S1PR1S1PR3PIK3CDPIK3CBPIK3CG
SCHEMBL1743666 0.88 S1PR1 (0.35) S1PR1S1PR3PIK3CDPIK3CBPIK3CG
SCHEMBL1742465 0.84 S1PR1 (0.33) S1PR1S1PR3
SCHEMBL2475185 0.82 S1PR1 (0.32) S1PR1S1PR3
SCHEMBL1742464 0.81 S1PR1 (0.37) S1PR1S1PR3
SCHEMBL1337433 0.79 S1PR1 (0.38) S1PR1S1PR3PIK3CDPIK3CBPIK3CG
SCHEMBL1337948 0.78 S1PR1 (0.40) S1PR1S1PR3BDKRB1
SCHEMBL13263464 0.77 S1PR1 (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2210890-A1 Oxadiazole derivatives as S1P1 receptor agonists Almirall, S.A. (ES) 2010-07-28 EP 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 2/4885PIK3CD 405/4885

“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.