SCHEMBL407573

SCHEMBL407573

CC(C)(C)OC(=O)CN(Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
CTSS P25774 2/20 0.44
NSD2 O96028 2/20 0.43
SNCA P37840 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.38
HTT P42858 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
NR1D1 P20393 3/20 0.37
GPR119 Q8TDV5 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
SCHEMBL14125767 0.92 CTSS (0.45) ABCB1CTSLCTSBCTSSNSD2
SCHEMBL4948328 0.87 NSD2 (0.41) ABCB1CTSLCTSBCTSSNSD2
SCHEMBL2774213 0.85 MEP1A (0.48) ABCB1CTSLCTSBCTSSHDAC3
SCHEMBL4662657 0.84 HDAC3 (0.46) CTSLCTSBCTSSNSD2SNCA
SCHEMBL30577123 0.84 SSTR4 (0.47) CTSLCTSBCTSSNSD2SNCA
SCHEMBL408817 0.84 POLB (0.52) ABCB1CTSLCTSBCTSSNSD2
SCHEMBL25391164 0.83 NSD2 (0.45) CTSLCTSBCTSSNSD2SNCA
SCHEMBL18633865 0.83 SNCA (0.43) CTSLCTSBCTSSNSD2SNCA
SCHEMBL2586342 0.83 SLC6A2 (0.44) CTSLCTSBCTSSNSD2SNCA
SCHEMBL24022761 0.83 ABCB1 (0.38) ABCB1CTSLCTSBCTSSSNCA

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 ABCB1 1198/4885CTSL 4815/4885CTSB 3990/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB ABCB1 1198/4885CTSL 4815/4885CTSB 3990/4885

“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.