SCHEMBL880535

SCHEMBL880535

CCOC(=O)C(=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
EGLN1 Q9GZT9 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
GLO1 Q04760 1/20 0.44
ALOX15 P16050 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
SOAT1 P35610 1/20 0.43
CYP2D6 P10635 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
MAPT P10636 2/20 0.40
TRPA1 O75762 1/20 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
SCHEMBL16045663 0.92 ALDH1A1 (0.46) ALDH1A1EGLN1LMNAHSD17B10NPSR1
SCHEMBL1418707 0.85 ALDH1A1 (0.56) ALDH1A1EGLN1LMNAHSD17B10NPSR1
SCHEMBL247694 0.85 ALDH1A1 (0.56) ALDH1A1EGLN1LMNAHSD17B10NPSR1
Pyridine SCHEMBL27786003 0.83 MEN1 (0.41) ALDH1A1EGLN1LMNAHSD17B10GAA
Oxalic Acid SCHEMBL11125356 0.82 ALDH1A1 (0.53) ALDH1A1EGLN1LMNAHSD17B10NPSR1
Oxalic Acid SCHEMBL27581907 0.82 ALDH1A1 (0.53) ALDH1A1EGLN1LMNAHSD17B10NPSR1
Water SCHEMBL1097795 0.82 ALDH1A1 (0.53) ALDH1A1EGLN1LMNAHSD17B10NPSR1
SCHEMBL18979198 0.82 ALDH1A1 (0.53) ALDH1A1EGLN1LMNAHSD17B10NPSR1
SCHEMBL98770 0.82
SCHEMBL29896398 0.82 ALDH1A1 (0.53) ALDH1A1EGLN1LMNAHSD17B10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102321030-A The heterocycle inhibitor of MEK and method of use thereof ARRAY BIOPHARMA INC 2012-01-18 CN claimed
EP-2470894-B1 SYNTHETIC MYCOTOXIN ADSORBENTS AND METHODS OF MAKING AND UTILIZING THE SAME ALLTECH INC (US) 2021-12-29 EP disclosed
EP-2433937-B1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof PURDUE PHARMA LP (US) 2016-06-29 EP disclosed
EP-2086958-B1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2015-01-14 EP disclosed
US-RE45274-E1 Synthetic mycotoxin adsorbents and methods of making and utilizing the same ALLTECH, INC. (US) 2014-12-02 US disclosed
EP-2324013-B3 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2014-10-22 EP disclosed
US-8426541-B2 Synthetic mycotoxin adsorbents and methods of making and utilizing the same ALLTECH, INC. (US) 2013-04-23 US disclosed
WO-2012085648-A9 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2013-03-21 WO disclosed
EP-2537844-A1 Substituted-quinoxaline-type bridged-piperidine compounds and the uses thereof Purdue Pharma L.P. (US) 2012-12-26 EP disclosed
EP-2324013-B1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2012-09-19 EP disclosed
EP-2433935-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
CN-102321030-A The heterocycle inhibitor of MEK and method of use thereof ARRAY BIOPHARMA INC 2012-01-18 CN disclosed
CN-102304086-A Heterocyclic inhibitors of MEK and methods of use thereof ASTRAZENECA AB 2012-01-04 CN disclosed
WO-2011122815-A2 NOVEL QUINOXALINE DERIVATIVES DONG-A PHARM.CO.,LTD. (KR) 2011-10-06 WO disclosed
US-20110178090-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2011-07-21 US disclosed
WO-2011031562-A1 SYNTHETIC MYCOTOXIN ADSORBENTS AND METHODS OF MAKING AND UTILIZING THE SAME ALLTECH, INC. (US) 2011-03-17 WO disclosed
US-20110054132-A1 SYNTHETIC MYCOTOXIN ADSORBENTS AND METHODS OF MAKING AND UTILIZING THE SAME ALLTECH, INC. (US) 2011-03-03 US disclosed
WO-2010010458-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2010-01-28 WO disclosed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 WO disclosed
US-4495351-A FOR UROGENVITAL DISORDERS VEB ARZNEIMITTELWERK DRESDEN (DD) 1985-01-22 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 (1 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-20110178090-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF OPRK1, OPRD1, P2RX4 ALDH1A1 196/4885EGLN1 474/4885LMNA 2889/4885

“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.