SCHEMBL1046493

SCHEMBL1046493

CC([O])c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.54
ALDH1A1 P00352 3/20 0.49
EPHX2 P34913 1/20 0.44
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
SLC6A2 P23975 1/20 0.42
KIF11 P52732 1/20 0.42
EPHX1 P07099 1/20 0.42
HPGD P15428 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
HSD11B1 P28845 1/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACACB O00763 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
SCHEMBL3310194 0.83 PDE2A (0.54) PDE2AALDH1A1EPHX2SLC6A4SLC6A3
SCHEMBL1676518 0.83 PDE2A (0.54) PDE2AALDH1A1EPHX2SLC6A4SLC6A3
SCHEMBL2056155 0.83 PDE2A (0.58) PDE2AALDH1A1EPHX2SLC6A4SLC6A3
SCHEMBL84428 0.83 ALDH1A1 (0.65) PDE2AALDH1A1EPHX2SLC6A4SLC6A3
SCHEMBL2092438 0.83 PDE2A (0.49) PDE2AALDH1A1EPHX2KIF11EPHX1
SCHEMBL8036077 0.81 ACACB (0.47) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL10157210 0.79 PDE2A (0.54) PDE2AALDH1A1EPHX2SLC6A4SLC6A3
SCHEMBL5924733 0.79 PDE2A (0.54) PDE2AALDH1A1EPHX2SLC6A4SLC6A3
SCHEMBL3163992 0.79 PDE2A (0.59) PDE2AALDH1A1EPHX2SLC6A4SLC6A3
SCHEMBL2021163 0.79 PDE2A (0.54) PDE2AALDH1A1EPHX2SLC6A4SLC6A3

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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
EP-1931425-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 EP disclosed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 WO disclosed
WO-2007043542-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-19 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PDE2A 2061/4885ALDH1A1 704/4885EPHX2 2795/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PDE2A 2061/4885ALDH1A1 704/4885EPHX2 2795/4885

“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.