SCHEMBL5042490

SCHEMBL5042490

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.35
FAAH O00519 2/20 0.35
VNN1 O95497 2/20 0.35
CARM1 Q86X55 2/20 0.34
PRMT6 Q96LA8 2/20 0.34
AKR1B1 P15121 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
HIF1A Q16665 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BRD4 O60885 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
SCHEMBL6068735 1.00 EPHX2 (0.35) EPHX2FAAHVNN1CARM1PRMT6
SCHEMBL5042494 0.86 FAAH (0.41) EPHX2FAAHVNN1AKR1B1ALDH1A1
SCHEMBL5043811 0.85 EPHX2 (0.38) EPHX2VNN1AKR1B1SLC1A3SLC1A2
SCHEMBL5043807 0.85 EPHX2 (0.38) EPHX2VNN1AKR1B1SLC1A3SLC1A2
SCHEMBL5041935 0.84 EPHX2 (0.38) EPHX2VNN1AKR1B1SLC1A3SLC1A2
SCHEMBL5041938 0.84 EPHX2 (0.38) EPHX2VNN1AKR1B1SLC1A3SLC1A2
SCHEMBL5041085 0.84 PPARA (0.38) EPHX2VNN1AKR1B1SLC1A3SLC1A2
SCHEMBL5041087 0.84 PPARA (0.38) EPHX2VNN1AKR1B1SLC1A3SLC1A2
SCHEMBL5043438 0.83 EPHX2 (0.36) EPHX2VNN1AKR1B1SLC1A3SLC1A2
SCHEMBL5038100 0.83 AKR1B1 (0.37) EPHX2VNN1AKR1B1SLC1A3SLC1A2

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 3 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
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US 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 1557/4885FAAH 212/4885VNN1 1831/4885

“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.