SCHEMBL18216801

SCHEMBL18216801

OC(c1cc(F)cc(F)c1)C1CNC[C@@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 10/20 0.62
FUCA1 P04066 4/20 0.38
GLA P06280 2/20 0.38
GAA P10253 1/20 0.38
GLB1 P16278 1/20 0.38
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
MAN1B1 Q9UKM7 1/20 0.31

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
SCHEMBL6857528 1.00 GBA1 (0.62) GBA1FUCA1GLAGAAGLB1
SCHEMBL17082827 1.00 GBA1 (0.62) GBA1FUCA1GLAGAAGLB1
SCHEMBL17082822 0.84 GBA1 (0.71) GBA1FUCA1GLAGAAGLB1
SCHEMBL18216800 0.84 GBA1 (0.53) GBA1FUCA1GLAGAAGLB1
SCHEMBL6856926 0.84 GBA1 (0.71) GBA1FUCA1GLAGAAGLB1
SCHEMBL6857530 0.84 GBA1 (0.53) GBA1FUCA1GLAGAAGLB1
SCHEMBL17082832 0.84 GBA1 (0.53) GBA1FUCA1GLAGAAGLB1
SCHEMBL17082826 0.83 GBA1 (0.54) GBA1FUCA1GLAGAAGLB1
SCHEMBL17082840 0.80 GBA1 (0.45) GBA1FUCA1GLAGAAGLB1
SCHEMBL18255197 0.80 GBA1 (0.45) GBA1FUCA1GLAGAAGLB1

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-20160326114-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMICUS THERAPEUTICS, INC. (US) 2016-11-10 US disclosed
US-20160326114-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMICUS THERAPEUTICS, INC. (US) 2016-11-10 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-20160326114-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM GAP43, CHAT, PMP22 GBA1 337/4885FUCA1 626/4885GLA 1323/4885

“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.