SCHEMBL16633434

SCHEMBL16633434

CCOC(=O)C(Cc1ccc(OC(F)(F)F)cc1)C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.58
PPARG P37231 3/20 0.58
PPARA Q07869 2/20 0.58
POLB P06746 1/20 0.52
ACACB O00763 1/20 0.49
MMP8 P22894 1/20 0.48
EPHX1 P07099 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
LDHA P00338 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
PTPN1 P18031 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
FPR2 P25090 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
SCHEMBL2574253 0.92 EPHX2 (0.54) EPHX2PPARGPPARAPOLBACACB
SCHEMBL15262272 0.87 EPHX2 (0.50) EPHX2PPARGPPARAPOLBACACB
SCHEMBL9493601 0.86 MMP8 (0.49) EPHX2PPARGPPARAACACBMMP8
SCHEMBL5753349 0.86 EPHX2 (0.54) EPHX2PPARGPPARAPOLBACACB
SCHEMBL27986121 0.84 EPHX2 (0.52) EPHX2PPARGPPARAPOLBACACB
SCHEMBL1312803 0.83 MMP8 (0.62) EPHX2PPARGMMP8LDHA
SCHEMBL3091926 0.82 LDHA (0.61) EPHX2PPARGPPARAACACBEPHX1
SCHEMBL27686858 0.81 PPARG (0.57) EPHX2PPARGPPARAPOLBMMP8
SCHEMBL490486 0.81 LDHA (0.69) EPHX2PPARGPPARAMMP8LDHA
SCHEMBL6718052 0.80 PPARA (0.51) EPHX2PPARGPPARAPOLBACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104245698-B Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2016-11-30 CN disclosed
US-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 US disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 US disclosed
CN-104245698-A Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL 2014-12-24 CN 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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A EPHX2 1190/4885PPARG 1437/4885PPARA 1415/4885

“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.