SCHEMBL410355

SCHEMBL410355

COCc1cc(-c2nc(-c3cccc(CC(=O)O)c3)no2)ccc1-c1ccccc1C

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.75
S1PR3 Q99500 2/20 0.75
NR1H4 Q96RI1 2/20 0.50
S1PR5 Q9H228 1/20 0.44

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
SCHEMBL410958 0.91 S1PR1 (0.70) S1PR1S1PR3NR1H4
SCHEMBL2771888 0.90 S1PR1 (0.77) S1PR1S1PR3NR1H4
SCHEMBL9968940 0.90 S1PR1 (0.71) S1PR1S1PR3NR1H4
SCHEMBL408428 0.90 S1PR1 (0.67) S1PR1S1PR3NR1H4
SCHEMBL410555 0.89 S1PR1 (0.66) S1PR1S1PR3NR1H4
SCHEMBL13146062 0.89 S1PR1 (0.65) S1PR1S1PR3NR1H4
SCHEMBL407012 0.89 S1PR1 (0.70) S1PR1S1PR3NR1H4
SCHEMBL408734 0.89 S1PR1 (0.69) S1PR1S1PR3NR1H4
SCHEMBL410689 0.88 S1PR1 (0.66) S1PR1S1PR3NR1H4
SCHEMBL2775225 0.88 S1PR1 (0.69) S1PR1S1PR3NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB S1PR1 448/4885S1PR3 310/4885NR1H4 923/4885

“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.