SCHEMBL572180

SCHEMBL572180

CC(=O)C1CCC(NC(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ EPHX2 P34913 3/20 0.41
▸ MMP2 P08253 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ EPHX1 P07099 7/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SELL P14151 1/20 0.34
▸ SELP P16109 1/20 0.34
▸ SELE P16581 1/20 0.34

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
SCHEMBL15733075 1.00 POLB (0.43) POLBEPHX2MMP2MMP8EPHX1
SCHEMBL572181 1.00 POLB (0.43) POLBEPHX2MMP2MMP8EPHX1
SCHEMBL23825900 0.89 FASN (0.38) POLBEPHX2MMP2MMP8EPHX1
SCHEMBL1543589 0.89 FASN (0.38) POLBEPHX2MMP2MMP8EPHX1
SCHEMBL12436014 0.84 ATM (0.47) POLBEPHX2MMP2MMP8EPHX1
SCHEMBL22722029 0.84 ATM (0.47) POLBEPHX2MMP2MMP8EPHX1
SCHEMBL12436833 0.84 ATM (0.47) POLBEPHX2MMP2MMP8EPHX1
SCHEMBL22722017 0.84 EPHX2 (0.56) EPHX2EPHX1NPC1SMN1; SMN2RAB9A
SCHEMBL12436784 0.84 EPHX2 (0.56) EPHX2EPHX1NPC1SMN1; SMN2RAB9A
SCHEMBL6658887 0.83 EPHX2 (0.50) POLBEPHX2MMP2MMP8EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023163140-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF 日本たばこ産業株式会社 2023-08-31 — — WO disclosed
US-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2022-01-27 — — US disclosed
EP-3882239-A1 1,3,4-OXADIAZOLONE COMPOUND AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2021-09-22 — — EP disclosed
US-20200131154-A1 PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF ARRIEN PHARMACEUTICALS LLC 2020-04-30 — — US disclosed
EP-2706853-B1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2017-06-14 — — EP disclosed
US-9290490-B2 Aminopyrimidines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-03-22 — — US disclosed
US-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 — — US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 — — US disclosed
CN-102046603-B [4- (1-amino-ethyl) -cyclohexyl ] -methyl-amine and [6- (1-amino-ethyl) -tetrahydro-pyran-3-yl ] -methyl-amine derivatives as antibacterial agents ACTELION PHARMACEUTICALS LTD 2014-08-13 — — CN disclosed
US-20140148474-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-05-29 — — US disclosed
EP-2611784-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE Amgen, Inc (US) 2013-07-10 — — EP disclosed
US-8173699-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 — — US disclosed
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 — — WO disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 — — EP disclosed
CN-102046603-A [4- (1-amino-ethyl) -cyclohexyl ] -methyl-amine and [6- (1-amino-ethyl) -tetrahydro-pyran-3-yl ] -methyl-amine derivatives as antibacterial agents ACTELION PHARMACEUTICALS LTD 2011-05-04 — — CN disclosed
US-20100190767-A1 Compounds for the treatment of inflammatory diseases ANDERSKEWITZ RALF 2010-07-29 — — US disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 — — US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 — — US disclosed
EP-1737857-A1 PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-01-03 — — EP disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 — — 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 (7 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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 POLB 1517/4885EPHX2 4373/4885MMP2 1667/4885
US-20100190767-A1 Compounds for the treatment of inflammatory diseases MALT1, IL1B, RORC POLB 1793/4885EPHX2 561/4885MMP2 1961/4885
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C POLB 1918/4885EPHX2 155/4885MMP2 174/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A POLB 1575/4885EPHX2 1135/4885MMP2 345/4885
US-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL PIM1, PIM3, PIM2 POLB 3559/4885EPHX2 4434/4885MMP2 1463/4885
US-20140148474-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK POLB 855/4885EPHX2 1568/4885MMP2 3029/4885
US-20200131154-A1 PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF PAICS, MCL1, TP53 POLB 357/4885EPHX2 3802/4885MMP2 3258/4885

“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.

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