SCHEMBL10170320

SCHEMBL10170320

COCCN(CC(=O)O)CC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.48
PMP22 Q01453 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 2/20 0.43
EYA2 O00167 1/20 0.43
APP P05067 1/20 0.43
ACE P12821 1/20 0.43
CHRM2 P08172 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ADRA2A P08913 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL6347011 0.86 BLM (0.58) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL562838 0.86 BLM (0.64) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL10170638 0.85 CACNA1B (0.34) BLMPMP22HSD17B10CACNA1BKCNQ3
SCHEMBL16995575 0.83 BLM (0.62) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL12286311 0.81 TDP1 (0.50) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL15696992 0.81 PIK3CD (0.34) MEN1KMT2A
SCHEMBL19412798 0.79 TDP1 (0.64) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL10213863 0.78 BLM (0.50) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL18412665 0.78 BLM (0.55) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL14012821 0.78 BLM (0.50) BLMPMP22HSD17B10TDP1EYA2

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
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

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 BLM 3207/4885PMP22 4/4885HSD17B10 1058/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB BLM 3207/4885PMP22 4/4885HSD17B10 1058/4885

“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.