SCHEMBL408857

SCHEMBL408857

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 16/20 0.44
MEP1A Q16819 3/20 0.40
BCHE P06276 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL409125 0.84 SLC7A5 (0.37) MEP1BMEP1A
SCHEMBL2132851 0.82 CYP4F2 (0.42) MEP1BHDAC8HDAC6
SCHEMBL410763 0.81 SLC7A5 (0.38) MEP1BBCHEKDM4E
SCHEMBL10170385 0.81 SLC7A5 (0.38) MEP1BBCHEKDM4E
SCHEMBL410764 0.81 SLC7A5 (0.38) MEP1BBCHEKDM4E
SCHEMBL2773953 0.78 HDAC1 (0.41) MEP1BMEP1A
SCHEMBL410425 0.77 MEP1B (0.49) MEP1BMEP1AKDM4E
SCHEMBL801661 0.72 AKT1 (0.51) BCHEKDM4EHDAC8MEN1KMT2A
SCHEMBL7083688 0.72 PPARG (0.52) MEP1BMEP1AHDAC8HDAC6KMT2A
SCHEMBL410397 0.72 TSHR (0.38) MEP1BKDM4EMEN1MAPTKMT2A

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 6 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
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 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 (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 MEP1B 1725/4885MEP1A 2267/4885BCHE 3116/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB MEP1B 1725/4885MEP1A 2267/4885BCHE 3116/4885

“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.