SCHEMBL5042707

SCHEMBL5042707

COC(C)(C(=O)NCc1ccc(C#N)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.54
PPARA Q07869 1/20 0.47
RIPK1 Q13546 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
MMP8 P22894 2/20 0.42
MAOA P21397 1/20 0.42
VNN1 O95497 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 2/20 0.41
MCL1 Q07820 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL5042714 1.00 EPHX2 (0.54) EPHX2PPARARIPK1LOXL2SLC1A3
SCHEMBL5038146 0.83 EPHX2 (0.46) EPHX2PPARARIPK1LOXL2SLC1A3
SCHEMBL5038155 0.83 EPHX2 (0.46) EPHX2PPARARIPK1LOXL2SLC1A3
SCHEMBL5038038 0.83 EPHX2 (0.47) EPHX2PPARARIPK1LOXL2SLC1A3
SCHEMBL5038036 0.83 EPHX2 (0.47) EPHX2PPARARIPK1LOXL2SLC1A3
SCHEMBL5038020 0.83 PPARA (0.52) EPHX2PPARARIPK1LMNARAB9A
SCHEMBL5038017 0.83 PPARA (0.52) EPHX2PPARARIPK1LMNARAB9A
SCHEMBL2578237 0.79 EPHX2 (0.62) EPHX2PPARARIPK1LOXL2VNN1
Hydrochloric Acid SCHEMBL5042086 0.78 TPSAB1 (0.50) EPHX2RIPK1MMP8LMNARAB9A
Hydrochloric Acid SCHEMBL5042082 0.78 TPSAB1 (0.50) EPHX2RIPK1MMP8LMNARAB9A

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 EPHX2 1557/4885PPARA 4124/4885RIPK1 3094/4885

“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.