SCHEMBL409014

SCHEMBL409014

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.43
MEP1A Q16819 1/20 0.43
MEP1B Q16820 1/20 0.43
GLA P06280 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ABCB1 P08183 1/20 0.40
MAOB P27338 1/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP13 P45452 1/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
FOLH1 Q04609 1/20 0.38
OPRK1 P41145 1/20 0.37
PDK1 Q15118 1/20 0.37
HTRA1 Q92743 1/20 0.36
NR3C1 P04150 1/20 0.36
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL408688 0.85 MEP1A (0.45) PTGESMEP1AMEP1BGLASLC6A2
SCHEMBL407544 0.83 PTGES (0.44) PTGESMEP1AMEP1BGLASLC6A2
SCHEMBL410425 0.83 MEP1B (0.49) PTGESMEP1AMEP1BGLASLC6A2
SCHEMBL410429 0.82 MEP1B (0.48) PTGESMEP1AMEP1BGLASLC6A2
SCHEMBL409411 0.80 SLC7A5 (0.39) PTGESOPRK1
SCHEMBL10170433 0.80 SLC7A5 (0.39) PTGESOPRK1
SCHEMBL409410 0.80 SLC7A5 (0.39) PTGESOPRK1
SCHEMBL2134296 0.80 FFAR1 (0.51) MEP1AMEP1BGLAABCB1FFAR1
SCHEMBL409125 0.78 SLC7A5 (0.37) MEP1AMEP1BOPRK1
SCHEMBL16109388 0.77 ERCC1 (0.46) MEP1AMEP1BGLAABCB1MAOB

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 11 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
CN-102803238-B Oxadiazole Derivatives MERCK SERONO S.A. (CH) 2015-09-30 CN 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 PTGES 1311/4885MEP1A 2267/4885MEP1B 1725/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB PTGES 1311/4885MEP1A 2267/4885MEP1B 1725/4885

“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.