SCHEMBL637736

SCHEMBL637736

CC(C)(C)OC(=O)NC(CCC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
P2RY2 P41231 1/20 0.45
UTS2R Q9UKP6 9/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
TRPA1 O75762 1/20 0.43
GAA P10253 1/20 0.42
S1PR3 Q99500 1/20 0.42

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
SCHEMBL391917 0.88 KMT2A (0.53) PPARGPPARAALDH1A1MAPTTRPA1
SCHEMBL390624 0.88 KMT2A (0.53) PPARGPPARAALDH1A1MAPTTRPA1
SCHEMBL391157 0.88 P2RY2 (0.46) PPARGPPARAP2RY2UTS2RALDH1A1
SCHEMBL390753 0.88 P2RY2 (0.46) PPARGPPARAP2RY2UTS2RALDH1A1
SCHEMBL391918 0.88 KMT2A (0.53) PPARGPPARAALDH1A1MAPTTRPA1
SCHEMBL17603813 0.88 P2RY2 (0.46) PPARGPPARAP2RY2UTS2RALDH1A1
SCHEMBL4583120 0.87 CTSK (0.53) MAPT
SCHEMBL20544755 0.86 P2RY2 (0.45) PPARGPPARAP2RY2UTS2RALDH1A1
SCHEMBL17619244 0.86 P2RY2 (0.45) PPARGPPARAP2RY2UTS2RALDH1A1
SCHEMBL390232 0.86 P2RY2 (0.45) PPARGPPARAP2RY2UTS2RALDH1A1

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 10 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

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 PPARG 288/4885PPARA 160/4885P2RY2 570/4885
US-20070054945-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI PPARG 288/4885PPARA 160/4885P2RY2 570/4885
US-20090234138-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS APEH, ABAT, GABARAPL1 PPARG 293/4885PPARA 138/4885P2RY2 462/4885
US-20110021571-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI PPARG 288/4885PPARA 160/4885P2RY2 570/4885
US-20050107334-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI PPARG 288/4885PPARA 160/4885P2RY2 570/4885

“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.