SCHEMBL3871129

SCHEMBL3871129

O=C1NC(=O)c2cc(C(F)(F)F)c(I)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.37
CFTR P13569 1/20 0.36
PPOX P50336 1/20 0.35
TDP2 O95551 2/20 0.34
TDP1 Q9NUW8 3/20 0.33
MEN1 O00255 2/20 0.33
PRKD3 O94806 2/20 0.33
EGFR P00533 2/20 0.33
PRKCG P05129 2/20 0.33
PRKCB P05771 2/20 0.33
MAPT P10636 2/20 0.33
SRC P12931 2/20 0.33
PRKCA P17252 2/20 0.33
PRKCH P24723 2/20 0.33
PRKCI P41743 2/20 0.33
PRKCE Q02156 2/20 0.33
KMT2A Q03164 2/20 0.33
PRKCQ Q04759 2/20 0.33
PRKCZ Q05513 2/20 0.33
PRKCD Q05655 2/20 0.33

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
SCHEMBL7932433 0.85 CES1 (0.42) CES1PPOXTDP2TDP1MEN1
SCHEMBL4676754 0.78 CES1 (0.47) CES1TDP1MAPTPOLBALDH1A1
SCHEMBL3884186 0.76 CES1 (0.37) CES1PPOXTDP2TDP1MEN1
SCHEMBL3874605 0.74 GRM5 (0.43) PPOXTDP2TDP1MEN1PRKD3
SCHEMBL2957907 0.72 CFTR (0.42) CFTRPOLBGLA
SCHEMBL10836481 0.71 CA2 (0.54) CES1PPOXMEN1KMT2AGSK3B
SCHEMBL24414145 0.68 PPOX (0.39) PPOXTDP2TDP1MEN1PRKD3
SCHEMBL3875801 0.68 PPOX (0.48) CES1PPOXTDP2TDP1MEN1
SCHEMBL30991840 0.68 PPOX (0.39) PPOXTDP2TDP1MEN1PRKD3
SCHEMBL7880528 0.68 CFTR (0.40) CFTRPOLBGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 CES1 1042/4885CFTR 53/4885PPOX 1048/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 CES1 1042/4885CFTR 53/4885PPOX 1048/4885

“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.