SCHEMBL13090652

SCHEMBL13090652

FC[C@H]1CN(Cc2ccccc2)C[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.42
FUCA1 P04066 2/20 0.41
S1PR5 Q9H228 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
RORC P51449 1/20 0.39
CYP2C19 P33261 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL591470 0.86 GBA1 (0.55) GBA1FUCA1S1PR5BCHEACHE
SCHEMBL17351179 0.86 GBA1 (0.55) GBA1FUCA1S1PR5BCHEACHE
SCHEMBL13090657 0.85 FUCA1 (0.50) GBA1FUCA1S1PR5RORC
SCHEMBL587335 0.85 FUCA1 (0.50) GBA1FUCA1S1PR5RORC
SCHEMBL8171730 0.82 FUCA1 (0.53) FUCA1S1PR5CYP2C19SIGMAR1CTSL
SCHEMBL13100615 0.82 S1PR1 (0.41) GBA1FUCA1S1PR5
SCHEMBL500382 0.79 GBA1 (0.58) GBA1FUCA1S1PR5
SCHEMBL500383 0.79 GBA1 (0.58) GBA1FUCA1S1PR5
SCHEMBL24652812 0.76 FUCA1 (0.44) FUCA1S1PR5CYP2C19SIGMAR1CTSL
SCHEMBL21195952 0.76 FUCA1 (0.44) FUCA1S1PR5CYP2C19SIGMAR1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940766-B2 Methods for preventing and/or treating lysosomal storage disorders AMICUS THERAPEUTICS, INC. (US) 2015-01-27 US disclosed
US-8304429-B2 Methods for preventing and/or treating degenerative disorders of the central nervous system AMICUS THERAPEUTICS, INC. (US) 2012-11-06 US disclosed
US-20100261753-A1 METHODS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMICUS THERAPEUTICS, INC. (US) 2010-10-14 US disclosed
US-20100260740-A1 METHODS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS AMICUS THERAPEUTICS, INC. (US) 2010-10-14 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 (2 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-20100261753-A1 METHODS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM SNCA, BDNF, PARK7 GBA1 71/4885FUCA1 727/4885S1PR5 72/4885
US-20100260740-A1 METHODS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS GBA1, GAA, MAN2B1 GBA1 1/4885FUCA1 156/4885S1PR5 274/4885

“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.