Sugi Predict

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SCHEMBL26356

SCHEMBL26356

CC(C)(OC(=O)NCC1(CC(=O)O)CCCCC1)OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ EGLN2 Q96KS0 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ SCN5A Q14524 1/20 0.35

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
SCHEMBL26101 0.82 ALDH1A1 (0.41) GAAALDH1A1HPGDUSP2TSHR
SCHEMBL6882845 0.81 CYP2D6 (0.36) GAAALDH1A1TSHRKMT2AMAPK1
SCHEMBL597965 0.81 ALDH1A1 (0.40) GAAALDH1A1HPGDUSP2TSHR
SCHEMBL599691 0.81 ALDH1A1 (0.40) GAAALDH1A1HPGDUSP2TSHR
SCHEMBL25471 0.80 ALDH1A1 (0.39) GAAALDH1A1HPGDUSP2TSHR
SCHEMBL25513 0.80 CYP2D6 (0.43) GAAALDH1A1HPGDUSP2TSHR
SCHEMBL1076767 0.79 ALDH1A1 (0.45) GAAALDH1A1HPGDUSP2TSHR
SCHEMBL25845 0.78 CYP2D6 (0.41) GAAALDH1A1HPGDUSP2TSHR
SCHEMBL25354 0.78 ALDH1A1 (0.37) GAAALDH1A1HPGDUSP2TSHR
SCHEMBL25331 0.76 GAA (0.39) GAAALDH1A1HPGDUSP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101434572-B Prodrugs of GABA analogs, compositions and uses thereof XENOPORT INC 2013-03-13 — — CN 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
CN-101381339-B Prodrugs of gaba analogs, compositions and uses thereof XENOPORT INC 2012-03-07 — — CN disclosed
US-20120035258-A1 METHODS OF USING PRODRUGS OF PREGABALIN XENOPORT, INC. (US) 2012-02-09 — — US disclosed
EP-1902714-B1 Prodrugs of gaba analogs, compositions and uses thereof XENOPORT INC (US) 2012-01-11 — — EP disclosed
EP-1404324-B1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2007-12-05 — — EP 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-20060229361-A1 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2006-10-12 — — US disclosed
CN-1753673-A Prodrugs of gaba analogs, compositions and uses thereof XENOPORT INC (US) 2006-03-29 — — CN disclosed
US-6972341-B2 Prodrugs of GABA analogs, compositions and uses thereof XENO PORT, INC. (US) 2005-12-06 — — US 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
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2004-04-22 — — US disclosed
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof ARBOR PHARMACEUTICALS, LLC 2004-01-08 — — US disclosed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 — — 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 (9 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-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 GAA 439/4885ALDH1A1 298/4885HPGD 373/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 GAA 439/4885ALDH1A1 298/4885HPGD 373/4885
US-20070010453-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 GAA 439/4885ALDH1A1 298/4885HPGD 373/4885
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 GAA 439/4885ALDH1A1 298/4885HPGD 373/4885
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 GAA 439/4885ALDH1A1 298/4885HPGD 373/4885
US-20120035258-A1 METHODS OF USING PRODRUGS OF PREGABALIN GABBR1, GABRB2, GABBR2 GAA 258/4885ALDH1A1 606/4885HPGD 186/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 GAA 439/4885ALDH1A1 298/4885HPGD 373/4885
US-20060229361-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 GAA 439/4885ALDH1A1 298/4885HPGD 373/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 GAA 439/4885ALDH1A1 298/4885HPGD 373/4885

“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.