SCHEMBL5037658

SCHEMBL5037658

CCOC(C(=O)NCc1ccc(C#N)cc1OCC(N)=O)c1c(F)cc(-c2ccc(N)nc2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.50
PDPK1 O15530 1/20 0.35
VNN1 O95497 2/20 0.33
PTGES O14684 4/20 0.33
EP300 Q09472 2/20 0.32
MTOR P42345 5/20 0.32
PIK3CA P42336 4/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
MGLL Q99685 1/20 0.31
EPHX2 P34913 1/20 0.31
MAP4K4 O95819 1/20 0.31
MINK1 Q8N4C8 1/20 0.31
TNIK Q9UKE5 1/20 0.31

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
SCHEMBL5037661 1.00 F10 (0.50) F10PDPK1VNN1PTGESEP300
SCHEMBL5040624 0.85 F10 (0.56) F10VNN1MGLL
SCHEMBL5040640 0.85 F10 (0.56) F10VNN1MGLL
Acetic Acid SCHEMBL5040924 0.84 F10 (0.64) F10PTGESALOX5APFEN1
SCHEMBL5043086 0.83 PDPK1 (0.37) F10PDPK1VNN1EP300MTOR
SCHEMBL5043089 0.83 PDPK1 (0.37) F10PDPK1VNN1EP300MTOR
SCHEMBL5042112 0.80 F10 (0.77) F10
SCHEMBL5042821 0.75 F10 (0.47) F10PDPK1
SCHEMBL5045474 0.75 F10 (0.45) F10
SCHEMBL5038731 0.75 F10 (0.45) F10ALOX5APFEN1

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 F10 8/4885PDPK1 3645/4885VNN1 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.