SCHEMBL2840339

SCHEMBL2840339

NCC(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.70
TSHR P16473 2/20 0.66
HPGD P15428 1/20 0.66
PKM P14618 1/20 0.66
CTNNB1 P35222 9/20 0.64
WNT3A P56704 6/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 2/20 0.58
ALDH1A1 P00352 2/20 0.58
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
KLF5 Q13887 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
Bromide SCHEMBL1443215 0.98 ATM (0.68) ATMTSHRHPGDPKMCTNNB1
Hydrochloric Acid SCHEMBL4195016 0.98 ATM (0.68) ATMTSHRHPGDPKMCTNNB1
SCHEMBL2843731 0.89 CTNNB1 (0.64) ATMHPGDCTNNB1WNT3AKDM4E
Hydrochloric Acid SCHEMBL6818531 0.88 CTNNB1 (0.62) ATMHPGDCTNNB1WNT3AKDM4E
SCHEMBL653025 0.85 PKM (0.87) ATMTSHRHPGDPKMCTNNB1
SCHEMBL4831672 0.84 ATM (0.72) ATMTSHRHPGDPKMCTNNB1
SCHEMBL1535157 0.84 ATM (0.72) ATMTSHRHPGDPKMCTNNB1
SCHEMBL26728280 0.83 ATM (0.71) ATMTSHRHPGDPKMCTNNB1
SCHEMBL5808134 0.82 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL13785039 0.82 ATM (0.70) ATMTSHRHPGDPKMCTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020020365-A1 METHOD FOR PREPARING OPTICALLY ACTIVE ELIGLUSTAT 中国医学科学院药物研究所 2020-01-30 WO disclosed
WO-2018193090-A2 PROCESS FOR PREPARATION OF ELIGLUSTAT HEMITARTRATE AND INTERMEDIATES THEREOF AMNEAL PHARMACEUTICALS COMPANY GMBH (CH) 2018-10-25 WO disclosed
WO-2010039911-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 WO disclosed
EP-1636217-B1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-09-03 EP disclosed
EP-1450796-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
US-7122545-B2 Imidazo-benzothiazoles HOFFMANN-LA ROCHE INC. (US) 2006-10-17 US disclosed
EP-1636217-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
US-6890949-B1 Amino ceramide-like compounds and therapeutic methods of use THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-05-10 US disclosed
WO-2004101558-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed
US-20040229862-A1 Imidazo-benzothiazoles F. HOFFMAN-LA ROCHE AG (CH) 2004-11-18 US disclosed
EP-1384719-A1 Inhibitors of the glucosyl ceramide synthase enzyme useful for the treatment of cancers, sphingolipidosis and microbial infections The Regents of The University of Michigan (US) 2004-01-28 EP disclosed
US-6596718-B1 A compound of formula I has a good affinity to the A2A receptor and is useful for the treatment of diseases mediated by this receptor. HOFFMANN-LA ROCHE INC. 2003-07-22 US disclosed
EP-1196406-A1 AMINO CERAMIDE-LIKE COMPOUNDS AND THERAPEUTIC METHODS OF USE The Regents of the University of Michigan (US) 2002-04-17 EP disclosed
WO-2001004108-A1 AMINO CERAMIDE-LIKE COMPOUNDS AND THERAPEUTIC METHODS OF USE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2001-01-18 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-20040229862-A1 Imidazo-benzothiazoles ADORA1, ADORA3, ADORA2A ATM 3239/4885TSHR 100/4885HPGD 3325/4885

“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.