SCHEMBL637735

SCHEMBL637735

CC(C)(C)OC(=O)NC[C@H](CC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
GABBR2 O75899 3/20 0.51
GABBR1 Q9UBS5 3/20 0.51
LMNA P02545 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP3A4 P08684 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
NFKB1 P19838 1/20 0.51
DRD3 P35462 1/20 0.51
BLM P54132 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.51
THRB P10828 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
FNTA P49354 4/20 0.46
FNTB P49356 4/20 0.46
GAA P10253 1/20 0.44

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
SCHEMBL1998566 1.00 ATM (0.59) ATMGABBR2GABBR1LMNACYP2C9
SCHEMBL4583612 0.88 MAPT (0.54) ATMGABBR2GABBR1KMT2AFNTA
SCHEMBL16680112 0.88 MAPT (0.54) ATMGABBR2GABBR1KMT2AFNTA
SCHEMBL21609297 0.87 ATM (0.46) ATMGABBR2GABBR1LMNACYP3A4
SCHEMBL8158497 0.87 ATM (0.49) ATMGABBR2GABBR1LMNACYP2C9
SCHEMBL8904313 0.86 ATM (0.46) ATMLMNATSHRFNTAFNTB
SCHEMBL21610487 0.85 PTGFR (0.47) ATMLMNACYP2C9CYP3A4CYP1A2
SCHEMBL21609291 0.85 PTGFR (0.47) ATMLMNACYP2C9CYP3A4CYP1A2
SCHEMBL21610500 0.85 PTGFR (0.47) ATMLMNACYP2C9CYP3A4CYP1A2
SCHEMBL29847988 0.85 PTGFR (0.47) ATMLMNACYP2C9CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660440-B1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT INC (US) 2012-02-22 EP disclosed
EP-2354120-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XenoPort, Inc. (US) 2011-08-10 EP disclosed
US-20110021571-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2011-01-27 US disclosed
US-20090234138-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS XENOPORT, INC. 2009-09-17 US disclosed
US-7572830-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2009-08-11 US disclosed
US-20080096960-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. 2008-04-24 US disclosed
US-7300956-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2007-11-27 US disclosed
US-20070054945-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2007-03-08 US disclosed
US-7109239-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2006-09-19 US disclosed
US-20050107334-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. 2005-05-19 US disclosed
EP-0651736-B1 PROCESS FOR PREPARING ENANTIOMER-PURE beta-SUBSTITUTED gamma-AMINOBUTYRIC ACID DERIVATES, NEW ENANTIOMER-PURE INTERMEDIATE STAGES OF SAID PROCESS AND THEIR USE HERDEIS CLAUS (DE) 1998-01-14 EP disclosed
EP-0651736-A1 PROCESS FOR PREPARING ENANTIOMER-PURE -SUBSTITUTED gamma-AMINOBUTYRIC ACID DERIVATES, NEW ENANTIOMER-PURE INTERMEDIATE STAGES OF SAID PROCESS AND THEIR USE HERDEIS, Claus (DE) 1995-05-10 EP disclosed
WO-1994002443-A2 PROCESS FOR PREPARING ENANTIOMER-PURE β-SUBSTITUTED η-AMINOBUTYRIC ACID DERIVATES, NEW ENANTIOMER-PURE INTERMEDIATE STAGES OF SAID PROCESS AND THEIR USE HERDEIS CLAUS (DE) 1994-02-03 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 (5 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-20080096960-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI ATM 3237/4885GABBR2 6/4885GABBR1 7/4885
US-20070054945-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI ATM 3237/4885GABBR2 6/4885GABBR1 7/4885
US-20090234138-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS APEH, ABAT, GABARAPL1 ATM 3507/4885GABBR2 9/4885GABBR1 12/4885
US-20110021571-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI ATM 3237/4885GABBR2 6/4885GABBR1 7/4885
US-20050107334-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI ATM 3237/4885GABBR2 6/4885GABBR1 7/4885

“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.