SCHEMBL3676063

SCHEMBL3676063

COC(OC)(OC)C(O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4442945 0.71 ALDH1A1 (0.46) ALDH1A1
SCHEMBL11292029 0.67
SCHEMBL5697611 0.64
SCHEMBL7529177 0.64
SCHEMBL124779 0.64
SCHEMBL2050724 0.64
SCHEMBL216856 0.64 ALDH1A1 (0.39) ALDH1A1
SCHEMBL2719867 0.61
SCHEMBL180902 0.61
SCHEMBL17481183 0.61 ALDH1A1 (0.46) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356329-B1 PROCESS FOR PREPARING 1-(4-METHANESULFONYL-2-TRIFLUOROMETHYL-BENZYL)-2-METHYL-1H-PYRROLO [2,3-B]PYRIDIN-3-YL-ACETIC ACID NOVARTIS AG (CH) 2020-04-15 EP disclosed
US-10508110-B2 Process for preparing 1-(4-methanesulfonyl-2-trifluoromethyl-benzyl)-2-methyl-1H-pyrrolo [2,3-B]pyridin-3-yl-acetic acid NOVARTIS AG (CH) 2019-12-17 US disclosed
US-20180273530-A1 PROCESS FOR PREPARING 1-(4-METHANESULFONYL-2-TRIFLUOROMETHYL-BENZYL)-2-METHYL-1H-PYRROLO [2,3-B]PYRIDIN-3-YL-ACETIC ACID NOVARTIS PHARMA AG (CH) 2018-09-27 US disclosed
EP-2922841-B1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
US-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 US disclosed
US-20150307483-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2015-10-29 US disclosed
EP-2922841-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES Bristol-Myers Squibb Company (US) 2015-09-30 EP disclosed
EP-2673267-B1 1,3-DIOXAN-5-ONE COMPOUNDS MERCK PATENT GMBH (DE) 2015-06-03 EP disclosed
WO-2014074660-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFNα RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 WO disclosed
EP-2673267-A1 1,3-DIOXAN-5-ONE COMPOUNDS Merck Patent GmbH (DE) 2013-12-18 EP disclosed
US-20130309184-A1 1,3-DIOXAN-5-ONE COMPOUNDS MERCK PATENT GMBH (DE) 2013-11-21 US disclosed
WO-2012107158-A1 1,3-DIOXAN-5-ONE COMPOUNDS MERCK PATENT GMBH (DE) 2012-08-16 WO disclosed
EP-2108646-B1 Alpha, Alpha'-Dihydroxyketone derivatives and their use as UV filters MERCK PATENT GMBH (DE) 2010-10-27 EP disclosed
EP-2108646-A1 Alpha, Alpha'-Dihydroxyketone derivatives and their use as UV filters Merck Patent GmbH (DE) 2009-10-14 EP disclosed
EP-1934188-A2 ALPHA, ALPHA`-DIHYDROXY KETONE DERIVATIVES AND USE THEREOF AS UV FILTER Merck Patent GmbH (DE) 2008-06-25 EP disclosed
WO-2007039110-A2 α, α′-DIHYDROXY KETONE DERIVATIVES AND USE THEREOF AS UV FILTER MERCK PATENT GMBH (DE) 2007-04-12 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 (4 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-20150307483-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, TYK2, IFNAR1 ALDH1A1 4551/4885
US-20180273530-A1 PROCESS FOR PREPARING 1-(4-METHANESULFONYL-2-TRIFLUOROMETHYL-BENZYL)-2-METHYL-1H-PYRROLO [2,3-B]PYRIDIN-3-YL-ACETIC ACID MMAB, PAH, CPS1 ALDH1A1 340/4885
US-10508110-B2 Process for preparing 1-(4-methanesulfonyl-2-trifluoromethyl-benzyl)-2-methyl-1H-pyrrolo [2,3-B]pyridin-3-yl-acetic acid MMAB, PAH, CPS1 ALDH1A1 340/4885
US-20130309184-A1 1,3-DIOXAN-5-ONE COMPOUNDS AOX1, OCIAD1, OCIAD2 ALDH1A1 43/4885

“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.