SCHEMBL5045404

SCHEMBL5045404

CCOC(=O)C(OC)c1c(F)cc(-c2ccncc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.41
DBF4 Q9UBU7 5/20 0.41
MAPK14 Q16539 3/20 0.40
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
CASP1 P29466 1/20 0.39
PPID Q08752 1/20 0.38
ABCB1 P08183 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
CYP17A1 P05093 2/20 0.38
GCGR P47871 1/20 0.38
ABCC1 P33527 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKN1 Q16512 1/20 0.36
PKN2 Q16513 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
SCHEMBL5047725 0.82 LMNA (0.33) ALDH1A1HPGD
SCHEMBL5040747 0.79 CA12 (0.42) HPGD
SCHEMBL2341607 0.76 PTGS2 (0.39) MAPTPKMALDH1A1
SCHEMBL5041381 0.70 CA12 (0.36) ALDH1A1HPGDHSD17B10
SCHEMBL5045318 0.69 FEN1 (0.39)
SCHEMBL5045621 0.69 ROCK1 (0.37)
SCHEMBL5042607 0.68 CYP3A4 (0.40) PKMALDH1A1HPGD
SCHEMBL10475301 0.68 PPID (0.48) MAPK14MMP2MMP13MMP14CASP1
SCHEMBL5042392 0.67 CA12 (0.42) HPGD
SCHEMBL10475302 0.67 MAPK14 (0.46) CDC7DBF4MAPK14MMP2MMP13

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 CDC7 1898/4885DBF4 4663/4885MAPK14 1193/4885

“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.