SCHEMBL6809623

SCHEMBL6809623

CN[C@H](C(=O)O)C(C)(C)c1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.39
CETP P11597 1/20 0.37
KCNH2 Q12809 1/20 0.37
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30

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
SCHEMBL6809621 1.00 SLC6A3 (0.39) SLC6A3CETPKCNH2CES2CES1
SCHEMBL6806880 0.84 KCNN4 (0.45) CETPKCNH2CES2CES1NPC1
SCHEMBL6806879 0.84 KCNN4 (0.45) CETPKCNH2CES2CES1NPC1
SCHEMBL6670267 0.84 TPMT (0.39) MAPTHTT
SCHEMBL6670264 0.84 TPMT (0.39) MAPTHTT
SCHEMBL6806037 0.83 MAPT (0.45) CETPKCNH2CES2MAPTAKR1C3
SCHEMBL6806035 0.83 MAPT (0.45) CETPKCNH2CES2MAPTAKR1C3
SCHEMBL6674790 0.77 MAPT (0.42) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL6674793 0.77 MAPT (0.42) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL6670753 0.77 KIF11 (0.46) MEN1HTTRAB9AKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN SLC6A3 1085/4885CETP 903/4885KCNH2 1999/4885

“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.