SCHEMBL2563093

SCHEMBL2563093

O=[N+]([O-])c1ccc(OCC(F)(F)F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.53
HSPB1 P04792 5/20 0.48
MPI P34949 1/20 0.46
PHOSPHO1 Q8TCT1 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HIF1A Q16665 1/20 0.45
CFTR P13569 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
PDE7A Q13946 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL26644378 0.88 ALDH1A1 (0.49) S1PR4HSPB1MPIPHOSPHO1ALDH1A1
SCHEMBL10970839 0.87 MPI (0.47) S1PR4HSPB1MPIPHOSPHO1ALDH1A1
SCHEMBL21497160 0.84 CYP1A2 (0.49) S1PR4MPIPHOSPHO1ALDH1A1CFTR
SCHEMBL1772198 0.84 HSPB1 (0.52) HSPB1MPIPHOSPHO1ALDH1A1HIF1A
SCHEMBL2560734 0.83 ALDH1A1 (0.50) S1PR4MPIPHOSPHO1ALDH1A1CFTR
SCHEMBL2568058 0.83 MAPT (0.54) MPIPHOSPHO1ALDH1A1TDP1RAB9A
SCHEMBL6704146 0.83 MPI (0.42) S1PR4HSPB1MPIPHOSPHO1ALDH1A1
SCHEMBL27789295 0.82 MPI (0.43) S1PR4HSPB1MPIPHOSPHO1ALDH1A1
SCHEMBL2090198 0.81 S1PR4 (0.56) S1PR4HSPB1ALDH1A1HIF1ATDP1
SCHEMBL3118631 0.81 S1PR4 (0.59) S1PR4HSPB1ALDH1A1HIF1ATDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2021-08-19 US disclosed
EP-3781572-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS Virginia Tech Intellectual Properties, Inc. (US) 2021-02-24 EP disclosed
CN-112262146-A Oxadiazolopyrazines and oxadiazolopyridines useful as mitochondrial uncouplers 弗吉尼亚理工大学知识产权有限公司 2021-01-22 CN disclosed
WO-2019204813-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2019-10-24 WO disclosed
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS NDUFAF1, OXA1L, GLS2 S1PR4 974/4885HSPB1 2384/4885MPI 1021/4885
US-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES S1PR4 1568/4885HSPB1 1470/4885MPI 4393/4885

“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.