SCHEMBL410764

SCHEMBL410764

CCN(CCC(=O)OC(C)(C)C)Cc1cccc(C(N)=NO)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
F2 P00734 3/20 0.38
PRSS1 P07477 2/20 0.38
BCHE P06276 1/20 0.38
AOC3 Q16853 1/20 0.38
MEP1B Q16820 3/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
RAB9A P51151 1/20 0.36
BMP1 P13497 1/20 0.35
PTPN1 P18031 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
SCHEMBL410763 1.00 SLC7A5 (0.38) SLC7A5F2PRSS1BCHEAOC3
SCHEMBL10170385 1.00 SLC7A5 (0.38) SLC7A5F2PRSS1BCHEAOC3
SCHEMBL410396 0.91 TSHR (0.38) SLC7A5F2PRSS1MEP1BKDM4E
SCHEMBL410397 0.91 TSHR (0.38) SLC7A5F2PRSS1MEP1BKDM4E
SCHEMBL10170390 0.91 TSHR (0.38) SLC7A5F2PRSS1MEP1BKDM4E
SCHEMBL407530 0.87 SLC7A5 (0.39) SLC7A5F2PRSS1BCHEAOC3
SCHEMBL9968916 0.87 SLC7A5 (0.39) SLC7A5F2PRSS1BCHEAOC3
SCHEMBL407531 0.87 SLC7A5 (0.39) SLC7A5F2PRSS1BCHEAOC3
SCHEMBL408596 0.85 HDAC1 (0.41) SLC7A5F2PRSS1L3MBTL1TDP1
SCHEMBL408595 0.85 HDAC1 (0.41) SLC7A5F2PRSS1L3MBTL1TDP1

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 SLC7A5 2990/4885F2 2321/4885PRSS1 4700/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB SLC7A5 2990/4885F2 2321/4885PRSS1 4700/4885

“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.