SCHEMBL5040874

SCHEMBL5040874

COc1cc(F)c(C(OC)C(=O)NCc2ccc(C#N)cc2OCC(F)(F)F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.42
SLC6A9 P48067 1/20 0.37
KCNH2 Q12809 1/20 0.37
PDE10A Q9Y233 1/20 0.37
EPHX2 P34913 3/20 0.36
TRPV1 Q8NER1 10/20 0.36
F10 P00742 1/20 0.36
DGAT2 Q96PD7 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL5040886 1.00 ENPP2 (0.42) ENPP2SLC6A9KCNH2PDE10AEPHX2
SCHEMBL5043083 0.87 F10 (0.39) ENPP2KCNH2F10DGAT2MGLL
SCHEMBL5045512 0.87 F10 (0.39) ENPP2KCNH2F10DGAT2MGLL
SCHEMBL5043572 0.85 DGAT2 (0.39) TRPV1DGAT2
SCHEMBL5043577 0.85 DGAT2 (0.39) TRPV1DGAT2
SCHEMBL5044097 0.83 P2RX7 (0.44) ENPP2KCNH2EPHX2TRPV1DGAT2
SCHEMBL5044099 0.83 P2RX7 (0.44) ENPP2KCNH2EPHX2TRPV1DGAT2
Hydrochloric Acid SCHEMBL6068477 0.82 F10 (0.53) PDE10AEPHX2TRPV1F10
Hydrochloric Acid SCHEMBL5041206 0.82 F10 (0.53) PDE10AEPHX2TRPV1F10
SCHEMBL5045474 0.81 F10 (0.45) ENPP2TRPV1F10DGAT2

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 ENPP2 696/4885SLC6A9 1529/4885KCNH2 4519/4885

“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.