SCHEMBL406503

SCHEMBL406503

CC(C)(C)OC(=O)CCNCc1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.51
DPP7 Q9UHL4 1/20 0.47
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
NOS1 P29475 1/20 0.42
VNN1 O95497 5/20 0.42
CNR1 P21554 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
FOLH1 Q04609 1/20 0.41
MEP1A Q16819 1/20 0.41
MEP1B Q16820 1/20 0.41
HTR2A P28223 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 1/20 0.39
ABCB1 P08183 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL29860036 0.88 SCN8A (0.47) SCN8ADPP7ERCC1ERCC4NOS1
SCHEMBL4951642 0.85 EPHX2 (0.47) SCN8AVNN1CNR1ABCB1
SCHEMBL2134296 0.83 FFAR1 (0.51) CNR1FFAR1FFAR4FOLH1MEP1A
SCHEMBL534926 0.80 FFAR1 (0.53) SCN8ADPP7ERCC1ERCC4NOS1
SCHEMBL16109388 0.80 ERCC1 (0.46) ERCC1ERCC4FFAR1FFAR4FOLH1
SCHEMBL9102803 0.80 ATM (0.52)
SCHEMBL557761 0.80 MEP1B (0.51) FOLH1MEP1B
SCHEMBL16355779 0.80 SLC7A5 (0.55) FOLH1MEP1B
SCHEMBL352314 0.80 ERCC1 (0.52) ERCC1ERCC4VNN1
SCHEMBL408171 0.79 FFAR1 (0.47) VNN1FFAR1FFAR4FOLH1MEP1A

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 SCN8A 2544/4885DPP7 1046/4885ERCC1 1499/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB SCN8A 2544/4885DPP7 1046/4885ERCC1 1499/4885

“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.