SCHEMBL21001077

SCHEMBL21001077

CC(C)(C)OC(=O)N1CCC1c1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.52
AR P10275 1/20 0.48
RIPK1 Q13546 3/20 0.45
NSD2 O96028 1/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 3/20 0.40
EGLN2 Q96KS0 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
SCD5 Q86SK9 1/20 0.39

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
SCHEMBL31421008 0.94 GPR119 (0.51) GPR119ARRIPK1SCD5
SCHEMBL28070953 0.92 GPR119 (0.50) GPR119ARRIPK1JAK2JAK3
SCHEMBL30281088 0.91 GPR119 (0.49) GPR119ARRIPK1JAK2JAK3
SCHEMBL30280984 0.89 GPR119 (0.47) GPR119ARNSD2JAK2JAK3
SCHEMBL30280998 0.89 GPR119 (0.47) GPR119ARRIPK1NSD2JAK2
SCHEMBL29148949 0.85 GPR119 (0.44) GPR119ARRIPK1JAK2JAK3
SCHEMBL24366138 0.85 AR (0.47) GPR119ARJAK2JAK3PTK2
SCHEMBL1674044 0.85 GPR119 (0.51) GPR119ARJAK2JAK3PTK2
SCHEMBL31470897 0.85 GPR119 (0.46) GPR119ARJAK2JAK3PTK2
SCHEMBL29082237 0.85 AR (0.47) GPR119ARJAK2JAK3PTK2

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-3713936-B1 SUBSTITUTED TRIFLUOROMETHYLOXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2021-10-20 EP disclosed
US-11147275-B2 Substituted trifluoromethyloxadiazoles for combating phytopathogenic fungi BASF SE (DE) 2021-10-19 US disclosed
US-20200315177-A1 SUBSTITUTED TRIFLUOROMETHYLOXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-10-08 US disclosed
EP-3713936-A1 SUBSTITUTED TRIFLUOROMETHYLOXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-09-30 EP disclosed
WO-2019101511-A1 SUBSTITUTED TRIFLUOROMETHYLOXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2019-05-31 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-11147275-B2 Substituted trifluoromethyloxadiazoles for combating phytopathogenic fungi CYP51A1, ERG28, PAOX GPR119 4416/4885AR 4153/4885RIPK1 2751/4885
US-20200315177-A1 SUBSTITUTED TRIFLUOROMETHYLOXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, ERG28, PAOX GPR119 4416/4885AR 4153/4885RIPK1 2751/4885

“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.