SCHEMBL5043333

SCHEMBL5043333

COC(C(=O)NCc1ccc(C#N)cc1)c1c(F)cccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
PPARA Q07869 2/20 0.39
HIF1A Q16665 1/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
EPHX2 P34913 4/20 0.36
EPAS1 Q99814 1/20 0.36
CARM1 Q86X55 2/20 0.35
PRMT6 Q96LA8 2/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
LMNA P02545 1/20 0.34
EEF2K O00418 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP2J2 P51589 1/20 0.34
MAPT P10636 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 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
SCHEMBL5043146 0.89 PPARA (0.39) PKMPPARAHIF1ASLC1A3SLC1A2
SCHEMBL5042640 0.86 HIF1A (0.46) PKMHIF1ASLC1A3SLC1A2EPHX2
SCHEMBL5042636 0.86 HIF1A (0.46) PKMHIF1ASLC1A3SLC1A2EPHX2
SCHEMBL5041550 0.85 PKM (0.48) PKMPPARAHIF1ASLC1A3SLC1A2
SCHEMBL5041552 0.85 PKM (0.48) PKMPPARAHIF1ASLC1A3SLC1A2
SCHEMBL5042039 0.83 PKM (0.45) PKMPPARAHIF1ASLC1A3SLC1A2
SCHEMBL5042034 0.83 PKM (0.45) PKMPPARAHIF1ASLC1A3SLC1A2
SCHEMBL5040796 0.83 PKM (0.41) PKMHIF1ASLC1A3SLC1A2EPHX2
SCHEMBL5045409 0.82 KDM4E (0.42) PKMHIF1ASLC1A3SLC1A2EPHX2
SCHEMBL5042657 0.81 HIF1A (0.41) PKMHIF1ASLC1A3SLC1A2EPHX2

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 4225/4885PPARA 4124/4885HIF1A 251/4885

“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.