SCHEMBL25210644

SCHEMBL25210644

O=CC[C@H](F)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
HSD11B1 P28845 1/20 0.41
ACP3 P15309 1/20 0.39
CNR2 P34972 2/20 0.36
PDE2A O00408 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GSK3B P49841 3/20 0.35
CYP1A2 P05177 1/20 0.35
PTPN1 P18031 1/20 0.35
FFAR1 O14842 3/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
NTRK1 P04629 1/20 0.35
MET P08581 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
GRK5 P34947 1/20 0.35

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
SCHEMBL25242924 1.00 CES2 (0.41) CES2CES1HSD11B1ACP3CNR2
SCHEMBL25242922 1.00 CES2 (0.41) CES2CES1HSD11B1ACP3CNR2
SCHEMBL25214509 0.81 CES2 (0.37) CES2CES1HSD11B1ACP3CNR2
SCHEMBL25253943 0.81 CES2 (0.37) CES2CES1HSD11B1ACP3CNR2
SCHEMBL25247263 0.81 CES2 (0.37) CES2CES1HSD11B1ACP3CNR2
SCHEMBL28724553 0.79 PDE2A (0.42) CES2CES1HSD11B1ACP3PDE2A
SCHEMBL28724552 0.79 PDE2A (0.42) CES2CES1HSD11B1ACP3PDE2A
SCHEMBL6703510 0.78 ACP3 (0.51) HSD11B1ACP3CNR2
SCHEMBL27528113 0.78 PDE2A (0.47) CES2CES1ACP3PDE2ACA1
SCHEMBL28193494 0.78 HTR2A (0.36) CNR2CYP1A2

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
US-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. 2024-12-05 US disclosed
EP-4436976-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION Genentech, Inc. (US) 2024-10-02 EP disclosed
CN-118510783-A Spiro modulators of cholesterol biosynthesis and their use for promoting remyelination 基因泰克公司 2024-08-16 CN disclosed
WO-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed
WO-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 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-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION MAG, NR1H2, PMP22 CES2 1200/4885CES1 237/4885HSD11B1 180/4885

“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.