SCHEMBL10170338

SCHEMBL10170338

CC(C)(C)CN(CCO)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
EYA2 O00167 1/20 0.48
APP P05067 1/20 0.48
ACE P12821 1/20 0.48
ALOX15 P16050 3/20 0.46
KDM4E B2RXH2 3/20 0.46
TSHR P16473 3/20 0.46
CYP2C19 P33261 3/20 0.46
BLM P54132 2/20 0.46
PMP22 Q01453 2/20 0.46
LMNA P02545 2/20 0.46
ADRA1A P35348 2/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL12286311 0.86 TDP1 (0.50) TDP1EYA2APPACEALOX15
SCHEMBL19412798 0.84 TDP1 (0.64) TDP1EYA2APPACEALOX15
SCHEMBL10170314 0.83 CAMK2A (0.34) TDP1EYA2APPACEALOX15
SCHEMBL10170328 0.83 TDP1 (0.48) TDP1EYA2APPACEALOX15
SCHEMBL10170635 0.83 ALOX15 (0.38) ALOX15KDM4ETSHRCYP2C19LMNA
Bicine SCHEMBL177696 0.81 ALOX15 (0.68) TDP1EYA2APPACEALOX15
SCHEMBL80266 0.81 TDP1 (0.72) TDP1EYA2APPACEALOX15
Bicine SCHEMBL34161 0.81 ALOX15 (0.68) TDP1EYA2APPACEALOX15
SCHEMBL7168637 0.81 MAPT (0.38) ALOX15KDM4ETSHRCYP2C19LMNA
SCHEMBL15804406 0.81 TDP1 (0.52) TDP1EYA2APPACEALOX15

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
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-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
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 TDP1 1556/4885EYA2 2082/4885APP 4106/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB TDP1 1556/4885EYA2 2082/4885APP 4106/4885

“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.