Sugi Predict

Sugi Predict / Compounds / SCHEMBL351537

SCHEMBL351537

SCHEMBL351537

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 3/20 0.47
▸ GABBR1 Q9UBS5 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ATM Q13315 1/20 0.43
▸ FNTA P49354 4/20 0.43
▸ FNTB P49356 4/20 0.43
▸ PTGFR P43088 2/20 0.40

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
SCHEMBL2230566 1.00 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C9KMT2A
SCHEMBL351148 1.00 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C9KMT2A
Arbaclofen Placarbil SCHEMBL2472988 0.91 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C9KMT2A
Arbaclofen Placarbil SCHEMBL3375708 0.91 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C9KMT2A
Arbaclofen Placarbil SCHEMBL349961 0.91 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C9KMT2A
Arbaclofen Placarbil SCHEMBL638204 0.91 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C9KMT2A
Arbaclofen Placarbil SCHEMBL351833 0.91 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C9KMT2A
Arbaclofen Placarbil SCHEMBL14689601 0.89 GABBR2 (0.46) GABBR2GABBR1LMNACYP2C9KMT2A
Arbaclofen Placarbil SCHEMBL14689524 0.89 GABBR2 (0.46) GABBR2GABBR1LMNACYP2C9KMT2A
Arbaclofen Placarbil SCHEMBL14692761 0.89 GABBR2 (0.46) GABBR2GABBR1LMNACYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016021-A1 METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS XENOPORT, INC. (US) 2012-01-19 — — US claimed
US-10385014-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use ARBOR PHARMACEUTICALS, LLC (US) 2019-08-20 — — US disclosed
US-20180258032-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE ARBOR PHARMACEUTICALS, LLC 2018-09-13 — — US disclosed
EP-1660440-B1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT INC (US) 2012-02-22 — — EP disclosed
US-20120016021-A1 METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS XENOPORT, INC. (US) 2012-01-19 — — US 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
EP-1189886-B1 ETHANESULFONYL-PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-01-04 — — EP 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 (8 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-10385014-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI GABBR2 6/4885GABBR1 7/4885LMNA 3875/4885
US-20180258032-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI GABBR2 6/4885GABBR1 7/4885LMNA 3875/4885
US-20080096960-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI GABBR2 6/4885GABBR1 7/4885LMNA 3875/4885
US-20070054945-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI GABBR2 6/4885GABBR1 7/4885LMNA 3875/4885
US-20090234138-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS APEH, ABAT, GABARAPL1 GABBR2 9/4885GABBR1 12/4885LMNA 3907/4885
US-20110021571-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI GABBR2 6/4885GABBR1 7/4885LMNA 3875/4885
US-20050107334-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI GABBR2 6/4885GABBR1 7/4885LMNA 3875/4885
US-20120016021-A1 METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS GABBR2, GABBR1, GABRB1 GABBR2 1/4885GABBR1 2/4885LMNA 2604/4885

“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.