SCHEMBL410337

SCHEMBL410337

CCOc1cc(-c2nc(-c3ccc(CN(C)CC(=O)OC(C)(C)C)cc3)no2)ccc1-c1ccccc1CC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.51
S1PR3 Q99500 9/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 3/20 0.43
USP2 O75604 2/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL411140 0.90 S1PR1 (0.49) S1PR1S1PR3KDM4EHSD17B10NPC1
SCHEMBL408170 0.89 S1PR1 (0.55) S1PR1S1PR3KDM4EHSD17B10NPC1
SCHEMBL408484 0.87 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL406955 0.85 S1PR1 (0.54) S1PR1S1PR3KDM4EHSD17B10NPC1
SCHEMBL410207 0.82 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL409558 0.82 S1PR1 (0.48) S1PR1S1PR3KDM4ENPC1RAB9A
SCHEMBL536159 0.82 S1PR1 (0.52) S1PR1S1PR3
SCHEMBL2771358 0.81 S1PR1 (0.51) S1PR1S1PR3KDM4EHSD17B10MAPT
SCHEMBL408346 0.81 S1PR1 (0.61) S1PR1S1PR3KDM4ENPC1RAB9A
SCHEMBL558527 0.81 S1PR1 (0.53) S1PR1S1PR3KDM4EHSD17B10NPC1

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 7 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
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 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 (2 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 310/4885KDM4E 1908/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB S1PR1 448/4885S1PR3 310/4885KDM4E 1908/4885

“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.