SCHEMBL4136277

SCHEMBL4136277

CCOC(=O)C(C)c1ccc(O)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
GAA P10253 4/20 0.57
HSD17B10 Q99714 3/20 0.57
ALOX15 P16050 2/20 0.57
USP2 O75604 1/20 0.57
PKM P14618 1/20 0.57
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.54
HTT P42858 1/20 0.54
HIF1A Q16665 1/20 0.54
MT-CO2 P00403 1/20 0.43
GFER P55789 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 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
SCHEMBL4140252 0.88 MT-CO2 (0.43) ALDH1A1GAAHSD17B10ALOX15USP2
SCHEMBL4128444 0.87 PSEN1 (0.42) ALDH1A1GAAHSD17B10ALOX15USP2
SCHEMBL490910 0.85 CA12 (0.53) ALDH1A1GAAHSD17B10ALOX15HPGD
SCHEMBL31430560 0.84 ALDH1A1 (0.58) ALDH1A1GAAHSD17B10ALOX15USP2
SCHEMBL11216724 0.84 ALDH1A1 (0.58) ALDH1A1GAAHSD17B10ALOX15USP2
SCHEMBL14797820 0.83 PSEN1 (0.41) ALDH1A1HSD17B10HPGDHTTMT-CO2
SCHEMBL5633456 0.81 PSEN1 (0.46) GAAHPGDHTTMT-CO2CA12
SCHEMBL490843 0.80 HSD17B2 (0.57) ALDH1A1GAAHSD17B2BLM
SCHEMBL9743420 0.80 PSEN1 (0.45) ALDH1A1HSD17B10ALOX15HPGDHTT
SCHEMBL5948065 0.80 PTGS2 (0.44) HPGDHIF1APSEN1PSEN2APH1B

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
CN-101941950-A 2-substituted benzo-[d] oxazole-5-propionic acid compound and preparation method and applications thereof UNIV SHANGHAI JIAOTONG 2011-01-12 CN claimed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
CN-101941950-B 2-substituted benzo-[d] oxazole-5-propionic acid compound and preparation method and applications thereof UNIV SHANGHAI JIAOTONG 2012-12-26 CN disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
CN-101941950-A 2-substituted benzo-[d] oxazole-5-propionic acid compound and preparation method and applications thereof UNIV SHANGHAI JIAOTONG 2011-01-12 CN disclosed
CN-101679370-A Novel vanilloid receptor ligands and the use thereof for the production of pharmaceuticals GRUENENTHAL GMBH 2010-03-24 CN disclosed
EP-2137178-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2009-12-30 EP disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
WO-2008125342-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO disclosed
WO-2008125342-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO disclosed
EP-0081321-A1 2-Aminophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1983-06-15 EP disclosed
US-4100168-A ANALGESICS, ANTIPYRETIC, ANTIINFLAMMATORY AGENTS LILLY INDUSTRIES LTD. (GB) 1978-07-11 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 (2 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-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions TRPV1, OPRL1, TRPV2 ALDH1A1 1590/4885GAA 1817/4885HSD17B10 2199/4885
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions TRPV1, OPRL1, TRPV2 ALDH1A1 1566/4885GAA 1794/4885HSD17B10 2088/4885

“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.