SCHEMBL13100615

SCHEMBL13100615

CCCCO[C@@H]1[C@@H](CF)CN(Cc2ccccc2)C[C@H]1OCCCC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.41
S1PR5 Q9H228 5/20 0.41
S1PR3 Q99500 4/20 0.40
PTPN1 P18031 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GBA1 P04062 1/20 0.39
FUCA1 P04066 2/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
TSHR P16473 1/20 0.36

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
SCHEMBL13100637 0.88 GBA1 (0.45) S1PR1S1PR5S1PR3PTPN1MEN1
SCHEMBL14497212 0.82 GBA1 (0.52) S1PR1S1PR5S1PR3PTPN1MEN1
SCHEMBL13090652 0.82 GBA1 (0.42) S1PR5GBA1FUCA1
SCHEMBL14890255 0.80 S1PR5 (0.52) S1PR1S1PR5S1PR3FUCA1
SCHEMBL14760297 0.80 S1PR5 (0.52) S1PR1S1PR5S1PR3FUCA1
SCHEMBL14760283 0.80 S1PR5 (0.52) S1PR1S1PR5S1PR3FUCA1
SCHEMBL13100614 0.80 GBA1 (0.59) S1PR1S1PR5S1PR3MEN1KMT2A
SCHEMBL456687 0.80 GBA1 (0.59) S1PR1S1PR5S1PR3MEN1KMT2A
SCHEMBL14388983 0.80 GBA1 (0.59) S1PR1S1PR5S1PR3MEN1KMT2A
SCHEMBL13100613 0.78 GBA1 (0.44) S1PR1S1PR5S1PR3PTPN1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2416656-B1 METHODS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS AMICUS THERAPEUTICS INC (US) 2015-12-23 EP disclosed
US-8940766-B2 Methods for preventing and/or treating lysosomal storage disorders AMICUS THERAPEUTICS, INC. (US) 2015-01-27 US disclosed
EP-2416655-B1 METHODS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMICUS THERAPEUTICS INC (US) 2014-06-25 EP 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
WO-2010118283-A1 METHODS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS AMICUS THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
WO-2010118282-A1 METHODS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMICUS THERAPEUTICS, INC. (US) 2010-10-14 WO 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 S1PR1 141/4885S1PR5 72/4885S1PR3 29/4885
US-20100260740-A1 METHODS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS GBA1, GAA, MAN2B1 S1PR1 297/4885S1PR5 274/4885S1PR3 174/4885

“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.