SCHEMBL408688

SCHEMBL408688

CN(CCC(=O)OC(C)(C)C)Cc1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1A Q16819 1/20 0.45
MEP1B Q16820 1/20 0.45
SIGMAR1 Q99720 2/20 0.41
ABCB1 P08183 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
PTGES O14684 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PDK1 Q15118 1/20 0.40
MAOB P27338 1/20 0.39
ACHE P22303 2/20 0.38
BCHE P06276 1/20 0.38
FOLH1 Q04609 1/20 0.38
GLA P06280 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL407544 0.86 PTGES (0.44) MEP1AMEP1BABCB1PTGESFFAR1
SCHEMBL410425 0.86 MEP1B (0.49) MEP1AMEP1BABCB1PTGESFFAR1
SCHEMBL409014 0.85 PTGES (0.43) MEP1AMEP1BABCB1PTGESFFAR1
SCHEMBL410429 0.85 MEP1B (0.48) MEP1AMEP1BABCB1PTGESFFAR1
SCHEMBL409476 0.85 SIGMAR1 (0.47) SIGMAR1ABCB1TMEM97MAOBACHE
SCHEMBL411215 0.82 NSD2 (0.34) SIGMAR1ABCB1TMEM97CTSLCTSB
SCHEMBL535512 0.82 MEP1A (0.54) MEP1AMEP1BSIGMAR1TMEM97FFAR1
SCHEMBL2134296 0.82 FFAR1 (0.51) MEP1AMEP1BABCB1FFAR1FFAR4
SCHEMBL320434 0.80 MEP1A (0.49) MEP1AMEP1BABCB1PTGESFFAR1
SCHEMBL408169 0.80 ABCB1 (0.37) SIGMAR1ABCB1TMEM97FFAR1FFAR4

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 13 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
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 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-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 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
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US 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 (3 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 MEP1A 2944/4885MEP1B 2388/4885SIGMAR1 2426/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB MEP1A 2267/4885MEP1B 1725/4885SIGMAR1 3660/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB MEP1A 2267/4885MEP1B 1725/4885SIGMAR1 3660/4885

“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.