SCHEMBL6397000

SCHEMBL6397000

COC(=O)c1coc(-c2ccc(CNC(=O)Cc3ccc(OC(F)(F)F)cc3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.52
PPARA Q07869 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
DGAT2 Q96PD7 1/20 0.44
NPC1 O15118 1/20 0.44
EPHX2 P34913 2/20 0.43
LTA4H P09960 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
PPARD Q03181 1/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SHMT2 P34897 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6396504 0.91 SCN10A (0.51) SCN10APPARAKMT2AGAATSHR
SCHEMBL6390751 0.84 CACNA1G (0.46) SCN10APPARAKMT2AGAATSHR
SCHEMBL6395841 0.84 SCN10A (0.43) SCN10APPARAKMT2AGAATSHR
SCHEMBL6397185 0.84 EPHX2 (0.46) SCN10APPARAKMT2AGAATSHR
SCHEMBL6398988 0.81 HRH3 (0.42) SCN10AKMT2AGAATSHREPHX2
SCHEMBL6391321 0.81 EPHX2 (0.48) SCN10AKMT2AGAATSHREPHX2
SCHEMBL4814655 0.77 HDAC1 (0.45) GAAHDAC1HDAC8HDAC6
SCHEMBL16399372 0.76 SCN10A (0.62) SCN10AHDAC1HDAC8HDAC6
SCHEMBL6391881 0.75 NPC1 (0.48) KMT2ATSHRHDAC1HDAC8HDAC6
SCHEMBL6391810 0.75 PDE4B (0.48) KMT2ATSHRHDAC1HDAC8HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-02-03 US disclosed
WO-2003090680-A2 NOVEL PHENYL DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2003-11-06 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-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis BAX, BAD, CASP3 SCN10A 4649/4885PPARA 151/4885KMT2A 3412/4885

“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.