SCHEMBL3456074

SCHEMBL3456074

COc1cc(CCC(=O)O)ccc1C(N)=NO

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
ALOX5 P09917 1/20 0.48
OR51E2 Q9H255 1/20 0.48
FFAR1 O14842 4/20 0.47
FFAR4 Q5NUL3 3/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
REN P00797 1/20 0.46
CTSD P07339 1/20 0.46
PLA2G4A P47712 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL3456072 1.00 GAA (0.55) GAAPPARAPPARGALOX5OR51E2
SCHEMBL3761075 0.84 MTNR1A (0.49) GAAPPARAPPARGALOX5OR51E2
SCHEMBL3761076 0.84 MTNR1A (0.49) GAAPPARAPPARGALOX5OR51E2
SCHEMBL10180075 0.84 MTNR1A (0.49) GAAPPARAPPARGALOX5OR51E2
SCHEMBL1338291 0.82 FFAR1 (0.48) FFAR1FFAR4NPSR1
SCHEMBL1338293 0.82 FFAR1 (0.48) FFAR1FFAR4NPSR1
SCHEMBL23935757 0.81 ALOX5 (0.54) GAAPPARAPPARGALOX5OR51E2
SCHEMBL347209 0.81 FFAR4 (0.61) ALOX5OR51E2FFAR1FFAR4KMT2A
SCHEMBL7462460 0.80 FFAR4 (0.61) PPARAPPARGALOX5OR51E2FFAR1
Hydrochloric Acid SCHEMBL3225386 0.79 FFAR4 (0.59) ALOX5OR51E2FFAR1FFAR4KMT2A

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-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
EP-2250165-A1 TRIAZOLE OXADIAZOLES DERIVATIVES Merck Serono S.A. (CH) 2010-11-17 EP disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 GAA 4078/4885PPARA 2476/4885PPARG 2047/4885

“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.