SCHEMBL6860689

SCHEMBL6860689

COC(=O)N1C[C@@H](O)[C@H](O)[C@@H](C(F)(F)F)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.42
▸ CHRNA4 P43681 2/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ TSHR P16473 2/20 0.35
▸ PDK2 Q15119 2/20 0.34
▸ RORC P51449 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PKM P14618 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
SCHEMBL14212559 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL16472314 0.74 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL24652814 0.73 NR1H2 (0.46) PDK2RORCSMN1; SMN2
SCHEMBL21216450 0.73 NR1H2 (0.46) PDK2RORCSMN1; SMN2
SCHEMBL23580354 0.73 NR1H2 (0.46) PDK2RORCSMN1; SMN2
SCHEMBL28850046 0.71 NR1H2 (0.33) RORC
SCHEMBL14752967 0.69 — —
SCHEMBL15014466 0.68 — —
Hydrochloric Acid SCHEMBL28957871 0.68 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL21196146 0.67 VNN1 (0.32) —

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
US-10035766-B2 Compositions for preventing and/or treating lysosomal storage disorders AMICUS THERAPEUTICS, INC. (US) 2018-07-31 — — US disclosed
US-9931353-B2 Method for treating cerebral amyloid angiopathy using pharmacological chaperones to increase the activity of gangliosidases AMICUS THERAPEUTICS, INC. (US) 2018-04-03 — — US disclosed
US-9409862-B2 Compositions for preventing and/or treating degenerative disorders of the central nervous system AMICUS THERAPEUTICS, INC. (US) 2016-08-09 — — US disclosed
US-20150374733-A1 Method for Treating Cerebral Amyloid Angiopathy Using Pharmacological Chaperones to Increase the Activity of Gangliosidases WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-12-31 — — US disclosed
US-20140086896-A1 Novel Compositions for Preventing and/or Treating Lysosomal Storage Disorders AMICUS THERAPEUTICS, INC. (US) 2014-03-27 — — US disclosed
US-20140080871-A1 Novel Compositions for Preventing and/or Treating Degenerative Disorders of the Central Nervous System AMICUS THERAPEUTICS, INC. (US) 2014-03-20 — — US disclosed
US-20110092541-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMICUS THERAPEUTICS, INC. (US) 2011-04-21 — — US disclosed
US-20110091442-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS AMICUS THERAPEUTICS, INC. (US) 2011-04-21 — — 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 (6 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-20140080871-A1 Novel Compositions for Preventing and/or Treating Degenerative Disorders of the Central Nervous System GAP43, CHAT, PMP22 CHRNB2 19/4885CHRNA4 25/4885CHRNB4 18/4885
US-20110091442-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS GAA, GBA1, MAN2B1 CHRNB2 2642/4885CHRNA4 3395/4885CHRNB4 2891/4885
US-20110092541-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM GAP43, CHAT, PMP22 CHRNB2 19/4885CHRNA4 25/4885CHRNB4 18/4885
US-10035766-B2 Compositions for preventing and/or treating lysosomal storage disorders GAA, GBA1, MAN2B1 CHRNB2 2843/4885CHRNA4 3398/4885CHRNB4 3100/4885
US-20140086896-A1 Novel Compositions for Preventing and/or Treating Lysosomal Storage Disorders GAA, GBA1, MAN2B1 CHRNB2 2642/4885CHRNA4 3395/4885CHRNB4 2891/4885
US-20150374733-A1 Method for Treating Cerebral Amyloid Angiopathy Using Pharmacological Chaperones to Increase the Activity of Gangliosidases GBA1, ASAH2, ASAH1 CHRNB2 880/4885CHRNA4 1322/4885CHRNB4 1155/4885

“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.

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