SCHEMBL3274472

SCHEMBL3274472

NS(=O)(=O)c1ccc(-c2noc(-c3ccc(F)c(C(F)(F)F)c3)n2)cc1OC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.51
GSK3B P49841 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
S1PR3 Q99500 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
SCHEMBL3275084 0.86 S1PR1 (0.59) S1PR1
SCHEMBL3273925 0.86 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL4618115 0.80 S1PR1 (0.67) S1PR1
SCHEMBL4619354 0.71 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL4619925 0.69 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL3275517 0.68 S1PR1 (0.42) S1PR1GSK3B
SCHEMBL20615395 0.67 S1PR1 (1.00) S1PR1
SCHEMBL4930133 0.67 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL4617792 0.67 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL1797335 0.67 S1PR1 (0.57) 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-20100087491-A1 POLYCYCLIC COMPOUNDS NOVARTIS AG (CH) 2010-04-08 US disclosed
CN-101522646-A Oxadiazole derivatives having anti-inflammatory and immunosuppressive properties NOVARTIS AG (CH) 2009-09-02 CN disclosed
EP-2081916-A1 OXADIAZOLE DERIVATIVES WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE PROPERTIES Novartis AG (CH) 2009-07-29 EP disclosed
WO-2008037476-A1 OXADIAZOLE DERIVATIVES WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE PROPERTIES NOVARTIS AG (CH) 2008-04-03 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-20100087491-A1 POLYCYCLIC COMPOUNDS CD4, HLA-DRB1, MALT1 S1PR1 357/4885GSK3B 2831/4885NPSR1 1297/4885

“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.