SCHEMBL407544

SCHEMBL407544

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.44
MEP1A Q16819 1/20 0.44
MEP1B Q16820 1/20 0.44
ABCB1 P08183 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
PDK1 Q15118 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
FOLH1 Q04609 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL2774213 0.88 MEP1A (0.48) PTGESMEP1AMEP1BABCB1CTSL
SCHEMBL2773661 0.86 PTGES (0.44) PTGESMEP1AMEP1BABCB1CTSL
SCHEMBL408688 0.86 MEP1A (0.45) PTGESMEP1AMEP1BABCB1CTSL
SCHEMBL4948328 0.86 NSD2 (0.41) ABCB1CTSLCTSBCTSSMEN1
SCHEMBL410425 0.84 MEP1B (0.49) PTGESMEP1AMEP1BABCB1PDK1
SCHEMBL410429 0.83 MEP1B (0.48) PTGESMEP1AMEP1BABCB1CTSL
SCHEMBL409014 0.83 PTGES (0.43) PTGESMEP1AMEP1BABCB1PDK1
SCHEMBL1010216 0.82 MEP1A (0.50) PTGESMEP1AMEP1BABCB1CTSL
SCHEMBL320434 0.81 MEP1A (0.49) PTGESMEP1AMEP1BABCB1CTSL
SCHEMBL2134296 0.80 FFAR1 (0.51) MEP1AMEP1BABCB1FFAR1FFAR4

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 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.