SCHEMBL408171

SCHEMBL408171

CC(C)(C)OC(=O)CCOCc1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
FFAR4 Q5NUL3 2/20 0.47
MAOB P27338 2/20 0.43
ABCB1 P08183 1/20 0.41
MRGPRX4 Q96LA9 4/20 0.40
KCNH2 Q12809 1/20 0.40
FOLH1 Q04609 1/20 0.39
GLA P06280 1/20 0.39
MEP1A Q16819 1/20 0.39
MEP1B Q16820 1/20 0.39
GSK3B P49841 1/20 0.39
VNN1 O95497 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
CTSS P25774 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
SCHEMBL1247027 0.89 FFAR1 (0.44) FFAR1FFAR4ABCB1FOLH1GLA
SCHEMBL2134296 0.84 FFAR1 (0.51) FFAR1FFAR4ABCB1FOLH1GLA
SCHEMBL16109388 0.81 ERCC1 (0.46) FFAR1FFAR4MAOBABCB1FOLH1
SCHEMBL16672795 0.80 L3MBTL1 (0.53) CTSS
SCHEMBL406503 0.79 SCN8A (0.51) FFAR1FFAR4ABCB1FOLH1GLA
SCHEMBL408688 0.78 MEP1A (0.45) FFAR1FFAR4MAOBABCB1FOLH1
SCHEMBL20551473 0.78 MRGPRX4 (0.53) FFAR1FFAR4MAOBMRGPRX4KCNH2
SCHEMBL406657 0.77 SLC7A5 (0.40) MRGPRX4
SCHEMBL10246740 0.77 SLC7A5 (0.40) MRGPRX4
SCHEMBL406656 0.77 SLC7A5 (0.40) MRGPRX4

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 FFAR1 2388/4885FFAR4 2598/4885MAOB 1402/4885

“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.