SCHEMBL411215

SCHEMBL411215

CN(CCC(=O)OC(C)(C)C)Cc1cc(F)cc(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
ABCB1 P08183 2/20 0.33
CTSS P25774 2/20 0.32
CTSK P43235 1/20 0.32
EPAS1 Q99814 4/20 0.32
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
HIF1A Q16665 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL409560 0.88 ABCB1 (0.38) NSD2ABCB1CTSSCTSKEPAS1
SCHEMBL24022849 0.83 NR1D1 (0.43) NSD2ABCB1CTSSCTSKEPAS1
SCHEMBL30262591 0.83 NR1D1 (0.43) NSD2ABCB1CTSSCTSKEPAS1
SCHEMBL536173 0.83 SIGMAR1 (0.43) NSD2SIGMAR1TMEM97
SCHEMBL408688 0.82 MEP1A (0.45) SIGMAR1TMEM97ABCB1CTSSCTSL
SCHEMBL409476 0.82 SIGMAR1 (0.47) NSD2SIGMAR1TMEM97ABCB1CTSS
SCHEMBL25941174 0.80 MTNR1A (0.42) ABCB1CTSSCTSKEPAS1MTNR1A
SCHEMBL27001705 0.80 NR1D1 (0.39) NSD2ABCB1CTSSCTSKEPAS1
SCHEMBL24022834 0.79 ABCB1 (0.37) NSD2ABCB1CTSSCTSKEPAS1
SCHEMBL408169 0.79 ABCB1 (0.37) NSD2SIGMAR1TMEM97ABCB1MTNR1A

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 NSD2 1926/4885SIGMAR1 3660/4885TMEM97 2415/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB NSD2 1926/4885SIGMAR1 3660/4885TMEM97 2415/4885

“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.