SCHEMBL5047182

SCHEMBL5047182

COC(C(=O)NCc1ccc(C#N)cc1)c1ccc(O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
HIF1A Q16665 1/20 0.41
EPHX2 P34913 1/20 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
LOXL2 Q9Y4K0 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
PTGES O14684 1/20 0.36
FPR2 P25090 2/20 0.36
FPR1 P21462 1/20 0.36
AKR1B1 P15121 1/20 0.36
PPARA Q07869 1/20 0.36
GSK3B P49841 1/20 0.36
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL5047186 1.00 PKM (0.42) PKMHIF1AEPHX2SLC1A3SLC1A2
SCHEMBL5037449 0.88 GSK3B (0.43) PKMHIF1AFPR2FPR1PPARA
SCHEMBL5037450 0.88 GSK3B (0.43) PKMHIF1AFPR2FPR1PPARA
SCHEMBL5045553 0.88 L3MBTL1 (0.42) PKMHIF1AEPHX2SLC1A3SLC1A2
SCHEMBL5037989 0.88 L3MBTL1 (0.42) PKMHIF1AEPHX2SLC1A3SLC1A2
SCHEMBL5041816 0.86 HIF1A (0.41) PKMHIF1AEPHX2MMP2MMP3
SCHEMBL5041820 0.86 HIF1A (0.41) PKMHIF1AEPHX2MMP2MMP3
SCHEMBL5041134 0.86 EPHX2 (0.45) PKMHIF1AEPHX2PPARA
SCHEMBL5041133 0.86 EPHX2 (0.45) PKMHIF1AEPHX2PPARA
SCHEMBL5040847 0.85 PKM (0.47) PKMHIF1ASLC1A3SLC1A2MMP2

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 PKM 4225/4885HIF1A 251/4885EPHX2 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.