SCHEMBL5045823

SCHEMBL5045823

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 14/20 0.40
ALOX5AP P20292 12/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
INPPL1 O15357 2/20 0.37
CYP3A4 P08684 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL5045318 0.89 FEN1 (0.39) FEN1ALOX5APMKNK1MKNK2INPPL1
Acetic Acid SCHEMBL5041605 0.78 F10 (0.43) FEN1ALOX5APMKNK1MKNK2
SCHEMBL5043089 0.78 PDPK1 (0.37) FEN1ALOX5APPIK3CA
SCHEMBL5038731 0.78 F10 (0.45) FEN1ALOX5APMKNK1MKNK2
SCHEMBL5038735 0.78 F10 (0.45) FEN1ALOX5APMKNK1MKNK2
SCHEMBL5042821 0.78 F10 (0.47) MKNK1MKNK2
SCHEMBL5043086 0.78 PDPK1 (0.37) FEN1ALOX5APPIK3CA
Hydrochloric Acid SCHEMBL5041653 0.77 F10 (0.48) MKNK1MKNK2
SCHEMBL5043591 0.76 F10 (0.34) FEN1ALOX5APMKNK1MKNK2
SCHEMBL5037819 0.76 F10 (0.41) FEN1ALOX5APMKNK1MKNK2ALDH1A1

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 FEN1 595/4885ALOX5AP 1981/4885MKNK1 2445/4885

“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.