SCHEMBL409764

SCHEMBL409764

CN(CC(=O)OC(C)(C)C)Cc1ccc(/C(N)=N\O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.38
GAA P10253 2/20 0.37
RAB9A P51151 2/20 0.37
NR1D1 P20393 4/20 0.36
PYCR1 P32322 1/20 0.36
NR1H3 Q13133 1/20 0.36
ACHE P22303 3/20 0.36
BCHE P06276 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
F10 P00742 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL10170373 1.00 S1PR1 (0.38) S1PR1GAARAB9ANR1D1PYCR1
SCHEMBL409765 1.00 S1PR1 (0.38) S1PR1GAARAB9ANR1D1PYCR1
SCHEMBL406274 0.88 ACHE (0.39) GAARAB9APYCR1ACHEBCHE
SCHEMBL406275 0.88 ACHE (0.39) GAARAB9APYCR1ACHEBCHE
SCHEMBL10170396 0.88 ACHE (0.39) GAARAB9APYCR1ACHEBCHE
SCHEMBL534799 0.86 LMNA (0.41) S1PR1RAB9ANR1D1NR1H3ACHE
SCHEMBL534800 0.86 LMNA (0.41) S1PR1RAB9ANR1D1NR1H3ACHE
SCHEMBL9968906 0.85 SLC7A5 (0.40) RAB9AACHEF10ACACB
SCHEMBL409399 0.85 SIGMAR1 (0.38) GAARAB9AACHEBCHENPC1
SCHEMBL10170441 0.85 SIGMAR1 (0.38) GAARAB9AACHEBCHENPC1

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 10 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-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 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
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (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
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 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 448/4885GAA 3238/4885RAB9A 4195/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB S1PR1 448/4885GAA 3238/4885RAB9A 4195/4885

“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.