SCHEMBL439276

SCHEMBL439276

CCCCC(F)(F)C(=O)CC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 7/20 0.52
FAAH O00519 12/20 0.46
CES1 P23141 10/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PLA2G6 O60733 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38

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
SCHEMBL15591647 0.85 CES2 (0.40) CES2FAAHCES1MEN1CYP1A2
SCHEMBL8115343 0.84 FAAH (0.56) CES2FAAHCES1MEN1CYP1A2
SCHEMBL9767600 0.80 FAAH (0.67) CES2FAAHCES1MEN1CYP1A2
SCHEMBL18965382 0.79 CES2 (0.46) CES2FAAHCES1MEN1CYP1A2
SCHEMBL15744200 0.79 CES2 (0.46) CES2FAAHCES1MEN1CYP1A2
SCHEMBL12396593 0.78 CES2 (0.54) CES2FAAHCES1MEN1CYP1A2
SCHEMBL1706449 0.78 CES2 (0.54) CES2FAAHCES1MEN1CYP1A2
SCHEMBL20654764 0.77 CES2 (0.59) CES2FAAHCES1MEN1CYP1A2
SCHEMBL18022083 0.77 CES2 (0.44) CES2FAAHCES1MEN1CYP1A2
SCHEMBL3001830 0.77 CES2 (0.44) CES2FAAHCES1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382272-B2 Methods of making lubiprostone and intermediates thereof APOTEX PHARMACHEM INC. (CA) 2016-07-05 US disclosed
US-20120065409-A1 METHODS OF MAKING LUBIPROSTONE AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2012-03-15 US disclosed
US-20120065409-A1 METHODS OF MAKING LUBIPROSTONE AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2012-03-15 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 (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-20120065409-A1 METHODS OF MAKING LUBIPROSTONE AND INTERMEDIATES THEREOF PTGIS, LSS, SQLE CES2 1201/4885FAAH 2451/4885CES1 128/4885

“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.