SCHEMBL408974

SCHEMBL408974

CCOC(=O)CCCOc1cc(C#N)cc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.39
CYP1A2 P05177 1/20 0.39
BRD4 O60885 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
PDK2 Q15119 1/20 0.36
GPR35 Q9HC97 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FAAH O00519 2/20 0.36
TSHR P16473 1/20 0.35
BRCA1 P38398 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
SCHEMBL2774427 0.85 PDE4A (0.41) TNFCYP1A2BRD4PDE4APDE4B
SCHEMBL411214 0.81 CYP1A2 (0.41) TNFCYP1A2BRD4PDE4APDE4B
SCHEMBL6984457 0.78 BRD4 (0.41) TNFCYP1A2BRD4CYSLTR2CYSLTR1
SCHEMBL10246737 0.75 L3MBTL1 (0.41) TNFCYP1A2BRD4PDE4APDE4B
SCHEMBL409894 0.75 L3MBTL1 (0.41) TNFCYP1A2BRD4PDE4APDE4B
SCHEMBL409895 0.75 L3MBTL1 (0.41) TNFCYP1A2BRD4PDE4APDE4B
SCHEMBL25909326 0.74 MEN1 (0.44) TNFCYP1A2BRD4PDE4APDE4B
SCHEMBL6328916 0.74 MAPT (0.55) BRD4CYSLTR2CYSLTR1FAAH
SCHEMBL687850 0.72 CYSLTR2 (0.53) BRD4CYSLTR2CYSLTR1PDK2FAAH
SCHEMBL6870504 0.71 CYP1A2 (0.41) CYP1A2

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 5 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
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 TNF 1235/4885CYP1A2 718/4885BRD4 652/4885

“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.