SCHEMBL26650

SCHEMBL26650

CCOC(C)(OCC)C(=O)[O-].[Cs+]

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
Potassium Ion SCHEMBL11283126 0.95 ALDH1A1 (0.32) ALDH1A1CYP4F2CYP4A11FFAR3HDAC3
SCHEMBL11485784 0.95 FFAR3 (0.35) ALDH1A1CYP4F2CYP4A11FFAR3HDAC3
Zinc Ion SCHEMBL4478805 0.84
SCHEMBL5912970 0.74 ALDH1A1 (0.35) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL10999225 0.74 ALDH1A1 (0.39) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL26380 0.74 ALDH1A1 (0.38) ALDH1A1CYP4F2CYP4A11FFAR3LMNA
SCHEMBL23092079 0.72 ALOX15 (0.42) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL17353528 0.72 MGAM (0.36) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL27636970 0.72 ALDH1A1 (0.36) ALDH1A1CYP4F2CYP4A11FFAR3LMNA
Potassium Ion SCHEMBL11217407 0.72 ALDH1A1 (0.33) ALDH1A1FFAR3HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9944592-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2018-04-17 US disclosed
US-20170190657-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2017-07-06 US disclosed
US-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2016-03-31 US disclosed
US-9238616-B2 Prodrugs of gaba analogs, compositions and uses thereof XENOPORT, INC. (US) 2016-01-19 US disclosed
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF ARBOR PHARMACEUTICALS, LLC 2015-10-29 US disclosed
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2013-04-25 US disclosed
US-8367722-B2 Methods of using prodrugs of pregabalin XENOPORT, INC. (US) 2013-02-05 US disclosed
US-8168623-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2012-05-01 US disclosed
EP-1404324-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2004-12-22 EP disclosed
US-6818787-B2 FOR THERAPY AND PROPHYLAXIS OF EPILEPSY, DEPRESSION, ANXIETY, PSYCHOSIS, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, PANIC, PAIN, INFLAMMATORY DISEASE, INSOMNIA, GASTROINTESTINAL DISORDERS XENOPORT, INC. 2004-11-16 US disclosed
WO-2004052844-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2004-06-24 WO disclosed
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2004-04-22 US disclosed
EP-1404324-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2004-04-07 EP disclosed
US-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2004-01-22 US disclosed
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof ARBOR PHARMACEUTICALS, LLC 2004-01-08 US disclosed
WO-2003104184-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS XENOPORT, INC. (US) 2003-12-18 WO disclosed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 US disclosed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 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 (10 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 ALDH1A1 600/4885CYP4F2 653/4885CYP4A11 544/4885
US-20180258032-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI ALDH1A1 600/4885CYP4F2 653/4885CYP4A11 544/4885
US-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP4F2 269/4885CYP4A11 161/4885
US-20170190657-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI ALDH1A1 600/4885CYP4F2 653/4885CYP4A11 544/4885
US-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 ALDH1A1 495/4885CYP4F2 789/4885CYP4A11 1182/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP4F2 269/4885CYP4A11 161/4885
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP4F2 269/4885CYP4A11 161/4885
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP4F2 269/4885CYP4A11 161/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP4F2 269/4885CYP4A11 161/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP4F2 269/4885CYP4A11 161/4885

“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.