SCHEMBL5042129

SCHEMBL5042129

CCOC(C(=O)NCc1ccc(C#N)cc1)c1c(F)cc(O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
HIF1A Q16665 1/20 0.37
F10 P00742 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
VNN1 O95497 2/20 0.36
PTGES O14684 1/20 0.36
AKR1B1 P15121 1/20 0.36
PPARA Q07869 1/20 0.36
RAB9A P51151 1/20 0.36
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35

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
SCHEMBL5042131 1.00 EPHX2 (0.40) EPHX2SLC1A3SLC1A2MMP2MMP3
SCHEMBL5045523 0.90 SLC1A2 (0.39) EPHX2SLC1A3SLC1A2MMP2MMP3
SCHEMBL5045525 0.90 SLC1A2 (0.39) EPHX2SLC1A3SLC1A2MMP2MMP3
SCHEMBL5037504 0.89 VNN1 (0.42) EPHX2HIF1AF10VNN1RAB9A
SCHEMBL5037500 0.89 VNN1 (0.42) EPHX2HIF1AF10VNN1RAB9A
SCHEMBL5037967 0.88 SLC1A3 (0.42) EPHX2SLC1A3SLC1A2MMP2MMP3
SCHEMBL5037390 0.88 SMN1; SMN2 (0.38) EPHX2SLC1A3SLC1A2SCN5ASCN9A
SCHEMBL5037387 0.88 SMN1; SMN2 (0.38) EPHX2SLC1A3SLC1A2SCN5ASCN9A
SCHEMBL5037965 0.88 SLC1A3 (0.42) EPHX2SLC1A3SLC1A2MMP2MMP3
SCHEMBL5045218 0.86 CNR2 (0.38) EPHX2SLC1A3SLC1A2MMP2MMP3

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.