Sugi Predict

Sugi Predict / Compounds / SCHEMBL4070144

SCHEMBL4070144

SCHEMBL4070144

CCOC(=O)c1ccc(C(F)(F)F)nc1COCCOC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.40
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ FOS P01100 1/20 0.36
▸ JUN P05412 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36

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
SCHEMBL29929274 1.00 KDM4E (0.40) KDM4ECA12CA1CA2CA7
SCHEMBL18869269 0.89 TUBB4A (0.46) NPC1RAB9ATUBB4ATUBBTUBA3C
SCHEMBL29929108 0.85 NPC1 (0.40) NPC1RAB9ATUBB4ATUBBTUBA3C
SCHEMBL1201731 0.85 NPC1 (0.40) NPC1RAB9ATUBB4ATUBBTUBA3C
SCHEMBL18487179 0.84 NPC1 (0.37) NPC1RAB9ATUBB4ATUBBTUBA3C
SCHEMBL31330735 0.84 PDE4B (0.38) NPC1RAB9ATUBB4ATUBBTUBA3C
SCHEMBL3276376 0.84 PDE4B (0.38) NPC1RAB9ATUBB4ATUBBTUBA3C
SCHEMBL18323055 0.84 MEN1 (0.42) KDM4ECA12CA1CA2CA7
SCHEMBL1498432 0.81 KDM4E (0.46) KDM4ECA12CA1CA2CA7
SCHEMBL4070142 0.80 KDM4E (0.40) KDM4ECA12CA1CA2CA7

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
CN-115232008-B Compound, preparation method thereof and application of compound in preparation of fluroxypyr intermediate 山东潍坊润丰化工股份有限公司 2024-05-17 — — CN disclosed
US-20240010605-A1 COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION OF COMPOUND IN PREPARATION OF BICYCLOPYRONE INTERMEDIATE SHANDONG WEIFANG RAINBOW CHEMICAL CO.,LTD (CN) 2024-01-11 — — US disclosed
WO-2023237027-A1 COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF IN PREPARING BICYCLOPYRONE INTERMEDIATE 山东潍坊润丰化工股份有限公司 2023-12-14 — — WO disclosed
CN-115232008-A Compound, preparation method thereof and application of compound in preparation of fluroxypyr intermediate 山东潍坊润丰化工股份有限公司 2022-10-25 — — CN disclosed
CN-114716320-B Compound, preparation method thereof and application of compound in preparation of fluroxypyr intermediate 山东潍坊润丰化工股份有限公司 2022-09-27 — — CN disclosed
CN-114716320-A Compound, preparation method thereof and application of compound in preparation of fluroxypyr intermediate 山东潍坊润丰化工股份有限公司 2022-07-08 — — CN disclosed
US-9663436-B1 Method for preparation of 4-alkoxy-1,1,1-trifluorobut-3-en-2-ones from 1,1,1-trifluoroacetone LONZA LTD (CH) 2017-05-30 — — US disclosed
US-20170137359-A1 Method For Preparation of 4-Alkoxy-1,1,1-Trifluorobut-3-en-2-ones From 1,1,1-Trifluoroacetone LONZA LTD (CH) 2017-05-18 — — US disclosed
EP-3130589-A1 HETEROCYCLIC AZA COMPOUNDS Grünenthal GmbH (DE) 2017-02-15 — — EP disclosed
US-20160368876-A1 METHOD FOR PREPARATION OF 6-TRIFLUOROMETHYLPYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FROM TRIFLUOROACETYLACETIC ACID LONZA LTD. (CH) 2016-12-22 — — US disclosed
WO-2015007837-A1 METHOD FOR PREPARATION OF 6-TRIFLUOROMETHYLPYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FROM TRIFLUOROACETYLACETIC ACID LONZA LTD (CH) 2015-01-22 — — WO disclosed
US-7488824-B2 Process for the production of substituted nicotinic acid esters SYNGENTA CROP PROTECTION, INC. (US) 2009-02-10 — — US disclosed
EP-1601653-B1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED NICOTINIC ACID ESTERS SYNGENTA PARTICIPATIONS AG (CH) 2009-02-04 — — EP disclosed
US-20060199964-A1 Process for the production of substituted nicotinic acid esters SYNGENTA CROP PROTECTION, INC. 2006-09-07 — — US disclosed
EP-1601653-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED NICOTINIC ACID ESTERS Syngenta Participations AG (CH) 2005-12-07 — — EP disclosed
WO-2004078729-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED NICOTINIC ACID ESTERS SYNGENTA PARTICIPATIONS AG (CH) 2004-09-16 — — 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-20170137359-A1 Method For Preparation of 4-Alkoxy-1,1,1-Trifluorobut-3-en-2-ones From 1,1,1-Trifluoroacetone AFF1, ALK, ALKBH1 KDM4E 413/4885CA12 2957/4885CA1 1972/4885
US-20160368876-A1 METHOD FOR PREPARATION OF 6-TRIFLUOROMETHYLPYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FROM TRIFLUOROACETYLACETIC ACID CYP2A6, CYP2B6, HPD KDM4E 657/4885CA12 635/4885CA1 335/4885
US-20060199964-A1 Process for the production of substituted nicotinic acid esters CHRM1, CHRM5, CHRNA5 KDM4E 3555/4885CA12 1286/4885CA1 778/4885
US-20240010605-A1 COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION OF COMPOUND IN PREPARATION OF BICYCLOPYRONE INTERMEDIATE WEE1, WEE2, CYP4F11 KDM4E 4226/4885CA12 3416/4885CA1 1973/4885

“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.