SCHEMBL5047543

SCHEMBL5047543

CCOC(=O)N=C(N)c1ccc(CNC(=O)C(OCC)c2c(F)cc(-c3ccc(N)nc3)cc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.38
PTGES O14684 2/20 0.35
PDPK1 O15530 1/20 0.34
F2 P00734 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
NAMPT P43490 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 1/20 0.33
KLKB1 P03952 1/20 0.32
KIT P10721 1/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
EPHX2 P34913 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL5047812 1.00 F10 (0.38) F10PTGESPDPK1F2MKNK1
SCHEMBL5042821 0.87 F10 (0.47) F10PDPK1F2MKNK1MKNK2
Hydrochloric Acid SCHEMBL5041653 0.86 F10 (0.48) F10PDPK1F2MKNK1MKNK2
SCHEMBL5037819 0.84 F10 (0.41) F10PTGESPDPK1F2MKNK1
SCHEMBL5037821 0.84 F10 (0.41) F10PTGESPDPK1F2MKNK1
SCHEMBL5041411 0.79 F10 (0.61) F10MAPK1KLKB1HDAC1
SCHEMBL5041415 0.79 F10 (0.61) F10MAPK1KLKB1HDAC1
SCHEMBL5038731 0.78 F10 (0.45) F10F2MKNK1MKNK2KLKB1
SCHEMBL5038735 0.78 F10 (0.45) F10F2MKNK1MKNK2KLKB1
SCHEMBL5043530 0.78 F10 (0.48) F10F2MAPK1KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US claimed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US claimed
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 8/4885PTGES 3499/4885PDPK1 3645/4885

“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.