SCHEMBL1077115

SCHEMBL1077115

CCCC(OC(=O)CC)OC(=O)C(N)C1(CC(=O)O)CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4755074 0.92 ALDH1A1 (0.31) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4755028 0.90 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5316665 0.90 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL1563290 0.89 USP2 (0.32) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3813118 0.87 USP2 (0.31) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4756188 0.84 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3819378 0.83 CYP1A2 (0.31) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4701702 0.82
SCHEMBL5147264 0.82 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4756193 0.82 LMNA (0.36) LMNACYP1A2TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569895-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2007-07-11 EP claimed
WO-2007027477-A2 TREATING VULVODYNIA USING PRODRUGS OF GABA ANALOGS XENOPORT, INC. (US) 2007-03-08 WO claimed
EP-1569895-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2005-09-07 EP claimed
WO-2004052844-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2004-06-24 WO claimed
US-8168623-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2012-05-01 US disclosed
EP-2275401-A1 Crystalline 1-{[(a-isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid XenoPort, Inc. (US) 2011-01-19 EP disclosed
US-20100267946-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-10-21 US disclosed
US-7790708-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2010-09-07 US disclosed
US-7423169-B2 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. (US) 2008-09-09 US disclosed
US-20080058546-A1 Methods for Synthesis of Acyloxyalkyl Derivatives of GABA Analogs XENOPORT, INC 2008-03-06 US disclosed
EP-1569895-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2007-07-11 EP disclosed
US-7232924-B2 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. (US) 2007-06-19 US disclosed
US-7186855-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2007-03-06 US disclosed
US-20070010453-A1 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2007-01-11 US disclosed
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2006-12-21 US disclosed
EP-1569895-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2005-09-07 EP 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
US-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2004-01-22 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 (6 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-20100267946-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 USP2 1727/4885ALDH1A1 298/4885LMNA 3012/4885
US-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 USP2 1225/4885ALDH1A1 495/4885LMNA 4143/4885
US-20070010453-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 USP2 1727/4885ALDH1A1 298/4885LMNA 3012/4885
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 USP2 1727/4885ALDH1A1 298/4885LMNA 3012/4885
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 USP2 1225/4885ALDH1A1 495/4885LMNA 4143/4885
US-20080058546-A1 Methods for Synthesis of Acyloxyalkyl Derivatives of GABA Analogs GABRB1, GABRB3, GABBR1 USP2 1225/4885ALDH1A1 495/4885LMNA 4143/4885

“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.