SCHEMBL5041874

SCHEMBL5041874

CCO[C@H](C(=O)NCc1ccc(C#N)cc1)c1ccc(Br)cc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
EPHX2 P34913 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
HIF1A Q16665 1/20 0.37
ACACB O00763 1/20 0.37
CTSK P43235 1/20 0.35
GAA P10253 1/20 0.35
KAT6A Q92794 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
AKR1B1 P15121 1/20 0.34
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL5041872 1.00 SLC1A3 (0.38) SLC1A3SLC1A2EPHX2L3MBTL1SCN5A
SCHEMBL5040884 0.92 L3MBTL1 (0.38) SLC1A3SLC1A2EPHX2L3MBTL1SCN5A
SCHEMBL5040885 0.92 L3MBTL1 (0.38) SLC1A3SLC1A2EPHX2L3MBTL1SCN5A
SCHEMBL5037989 0.90 L3MBTL1 (0.42) SLC1A3SLC1A2EPHX2L3MBTL1SCN5A
SCHEMBL5045553 0.90 L3MBTL1 (0.42) SLC1A3SLC1A2EPHX2L3MBTL1SCN5A
SCHEMBL5045523 0.88 SLC1A2 (0.39) SLC1A3SLC1A2EPHX2L3MBTL1SCN5A
SCHEMBL5045525 0.88 SLC1A2 (0.39) SLC1A3SLC1A2EPHX2L3MBTL1SCN5A
SCHEMBL5037751 0.87 GSK3B (0.41) L3MBTL1HIF1AGAA
SCHEMBL5037752 0.87 GSK3B (0.41) L3MBTL1HIF1AGAA
SCHEMBL5040763 0.82 HIF1A (0.43) SLC1A3SLC1A2EPHX2L3MBTL1SCN5A

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 SLC1A3 2652/4885SLC1A2 2127/4885EPHX2 1557/4885

“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.