SCHEMBL5041133

SCHEMBL5041133

COC(C(=O)NCc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
ELANE P08246 1/20 0.42
VNN1 O95497 4/20 0.41
RORC P51449 1/20 0.40
PKM P14618 1/20 0.40
PDE2A O00408 1/20 0.39
HIF1A Q16665 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
PPARA Q07869 2/20 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
SCHEMBL5041134 1.00 EPHX2 (0.45) EPHX2ELANEVNN1RORCPKM
SCHEMBL5043244 0.92 EPHX2 (0.45) EPHX2ELANEVNN1RORCPKM
SCHEMBL5043243 0.92 EPHX2 (0.45) EPHX2ELANEVNN1RORCPKM
SCHEMBL5043090 0.90 EPHX2 (0.45) EPHX2ELANEVNN1RORCPKM
SCHEMBL5043091 0.90 EPHX2 (0.45) EPHX2ELANEVNN1RORCPKM
SCHEMBL5047182 0.86 PKM (0.42) EPHX2PKMHIF1APPARA
SCHEMBL5047186 0.86 PKM (0.42) EPHX2PKMHIF1APPARA
SCHEMBL5045553 0.85 L3MBTL1 (0.42) EPHX2PKMHIF1A
SCHEMBL5037450 0.85 GSK3B (0.43) VNN1PKMHIF1APPARA
SCHEMBL5037989 0.85 L3MBTL1 (0.42) EPHX2PKMHIF1A

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 EPHX2 1557/4885ELANE 95/4885VNN1 1831/4885

“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.