SCHEMBL408170

SCHEMBL408170

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.55
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 3/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
S1PR3 Q99500 9/20 0.49
S1PR5 Q9H228 1/20 0.46
USP2 O75604 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 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
SCHEMBL410337 0.89 S1PR1 (0.51) S1PR1KDM4EHSD17B10NPC1RAB9A
SCHEMBL558527 0.89 S1PR1 (0.53) S1PR1KDM4EHSD17B10NPC1RAB9A
SCHEMBL558902 0.85 S1PR1 (0.58) S1PR1S1PR3S1PR5
SCHEMBL10246830 0.85 S1PR1 (0.62) S1PR1NPC1RAB9AS1PR3S1PR5
SCHEMBL10246871 0.84 S1PR1 (0.56) S1PR1KDM4EHSD17B10NPC1RAB9A
SCHEMBL408845 0.84 S1PR1 (0.58) S1PR1KDM4EHSD17B10NPC1RAB9A
SCHEMBL10246764 0.84 S1PR1 (0.52) S1PR1KDM4EHSD17B10NPC1RAB9A
SCHEMBL10246755 0.83 S1PR1 (0.51) S1PR1KDM4EHSD17B10NPC1RAB9A
SCHEMBL10247215 0.83 S1PR1 (0.47) S1PR1KDM4EHSD17B10NPC1RAB9A
SCHEMBL10247474 0.82 S1PR1 (0.49) S1PR1KDM4EHSD17B10NPC1RAB9A

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 8 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
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-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US 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 448/4885KDM4E 1908/4885HSD17B10 1058/4885

“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.