SCHEMBL409125

SCHEMBL409125

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.37
MEP1B Q16820 12/20 0.37
OPRK1 P41145 1/20 0.35
MEP1A Q16819 2/20 0.35
ACKR3 P25106 1/20 0.34
PTPRC P08575 2/20 0.34

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
SCHEMBL408857 0.84 MEP1B (0.44) MEP1BMEP1A
SCHEMBL409410 0.81 SLC7A5 (0.39) SLC7A5OPRK1
SCHEMBL409411 0.81 SLC7A5 (0.39) SLC7A5OPRK1
SCHEMBL10170433 0.81 SLC7A5 (0.39) SLC7A5OPRK1
SCHEMBL2132851 0.81 CYP4F2 (0.42) SLC7A5MEP1B
SCHEMBL2773953 0.78 HDAC1 (0.41) SLC7A5MEP1BMEP1A
SCHEMBL409014 0.78 PTGES (0.43) MEP1BOPRK1MEP1A
SCHEMBL7086987 0.73 MEN1 (0.51) MEP1BMEP1A
SCHEMBL4949677 0.70 HDAC1 (0.45)
SCHEMBL2863308 0.69 AKT1 (0.41)

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 SLC7A5 2990/4885MEP1B 1725/4885OPRK1 2534/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB SLC7A5 2990/4885MEP1B 1725/4885OPRK1 2534/4885

“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.