SCHEMBL5041935

SCHEMBL5041935

CCOC(C(=O)NCc1ccc(C#N)cc1)c1c(F)ccc(CO)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
VNN1 O95497 4/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
AKR1B1 P15121 1/20 0.34
PPARA Q07869 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
HIF1A Q16665 1/20 0.34
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR2 P34972 1/20 0.33
PTGES O14684 1/20 0.33

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
SCHEMBL5041938 1.00 EPHX2 (0.38) EPHX2SLC1A3SLC1A2VNN1LOXL2
SCHEMBL5042003 0.91 EPHX2 (0.36) EPHX2SLC1A3SLC1A2VNN1LOXL2
SCHEMBL5042001 0.91 EPHX2 (0.36) EPHX2SLC1A3SLC1A2VNN1LOXL2
Acetic Acid SCHEMBL5042378 0.89 KLKB1 (0.38) EPHX2SLC1A3SLC1A2VNN1AKR1B1
SCHEMBL5043811 0.89 EPHX2 (0.38) EPHX2SLC1A3SLC1A2VNN1LOXL2
SCHEMBL5043807 0.89 EPHX2 (0.38) EPHX2SLC1A3SLC1A2VNN1LOXL2
SCHEMBL5043438 0.88 EPHX2 (0.36) EPHX2SLC1A3SLC1A2VNN1LOXL2
SCHEMBL5043444 0.88 EPHX2 (0.36) EPHX2SLC1A3SLC1A2VNN1LOXL2
SCHEMBL5041533 0.88 HIF1A (0.39) EPHX2SLC1A3SLC1A2VNN1MEN1
SCHEMBL5041534 0.88 HIF1A (0.39) EPHX2SLC1A3SLC1A2VNN1MEN1

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 1557/4885SLC1A3 2652/4885SLC1A2 2127/4885

“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.