Albutoin

Albutoin

SCHEMBL35488

C=CCN1C(=O)C(CC(C)C)NC1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 1.00
MEN1 O00255 1/20 1.00
MAPT P10636 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
GAA P10253 6/20 0.57
HTT P42858 3/20 0.57
PAX8 Q06710 1/20 0.57
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
Albutoin SCHEMBL5053862 1.00 KMT2A (1.00) KMT2AMEN1MAPTL3MBTL1GAA
SCHEMBL8726354 0.86 MEN1 (0.75) KMT2AMEN1MAPTL3MBTL1GAA
SCHEMBL1597896 0.72 GAA (0.70) KMT2AMEN1MAPTL3MBTL1GAA
SCHEMBL12706790 0.70 KMT2A (0.53) KMT2AMEN1MAPTL3MBTL1GAA
SCHEMBL19420143 0.68 GAA (0.62) KMT2AMEN1MAPTL3MBTL1GAA
SCHEMBL8671548 0.68 KMT2A (0.51) KMT2AMEN1MAPTL3MBTL1GAA
SCHEMBL8726301 0.66 MEN1 (0.49) KMT2AMEN1MAPTL3MBTL1GAA
SCHEMBL110306 0.66 GAA (0.65) KMT2AMEN1MAPTL3MBTL1GAA
SCHEMBL14471229 0.66 KMT2A (0.71) KMT2AMEN1MAPTL3MBTL1GAA
SCHEMBL9800779 0.65 MEN1 (0.48) KMT2AMEN1MAPTL3MBTL1GAA

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 1350 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961730-A2 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XenoPort, Inc. (US) 2016-01-06 EP claimed
US-20150158809-A9 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XENOPORT, INC. (US) 2015-06-11 US claimed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US claimed
WO-2014134005-A2 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XENOPORT, INC. (US) 2014-09-04 WO claimed
US-20140243544-A1 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XENOPORT, INC. (US) 2014-08-28 US claimed
CN-101486668-B Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT INC 2014-07-02 CN claimed
US-20130252945-A1 AMORPHOUS BIOINORGANIC IONIC LIQUID COMPOSITIONS COMPRISING PHARMACEUTICALS LOS ALAMOS NAT SECURITY LLC (US) 2013-09-26 US claimed
EP-2560634-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS Piramal Enterprises Limited (IN) 2013-02-27 EP claimed
US-8299291-B2 Methods of synthesizing 1-(acyloxy)-alkyl carbamate prodrugs XENOPORT, INC. (US) 2012-10-30 US claimed
US-8268352-B2 Modified release composition for highly soluble drugs TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-18 US claimed
US-20060024365-A1 Novel dosage form VAYA NAVIN 2006-02-02 US claimed
US-20060018933-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
US-20060018934-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
US-20050239725-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. 2005-10-27 US claimed
US-6927036-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XERO PORT, INC. (US) 2005-08-09 US claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 EP claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO claimed
US-5684018-A Acyloxyisopropyl carbamates as prodrugs for amine drugs MERCK & CO., INC. (US) 1997-11-04 US claimed
WO-1996018605-A1 ACYLOXYISOPROPYL CARBAMATES AS PRODRUGS FOR AMINE DRUGS MERCK & CO., INC. (US) 1996-06-20 WO claimed
US-4160818-A Fluorimetric immunoassay for diphenylhydantoin TECHNICON INSTRUMENTS CORPORATION (US) 1979-07-10 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20150158809-A9 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS CPS1, CA7, NAAA KMT2A 741/4885MEN1 227/4885MAPT 3200/4885
US-20140243544-A1 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS CPS1, CA7, NAAA KMT2A 741/4885MEN1 227/4885MAPT 3200/4885
US-20130252945-A1 AMORPHOUS BIOINORGANIC IONIC LIQUID COMPOSITIONS COMPRISING PHARMACEUTICALS MCOLN1, PYM1, MCOLN2 KMT2A 2984/4885MEN1 24/4885MAPT 306/4885
US-20050239725-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof AADAC, UGT1A1, ABHD5 KMT2A 1244/4885MEN1 1745/4885MAPT 4464/4885

“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.