SCHEMBL5332415

SCHEMBL5332415

CC#COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
VDR P11473 1/20 0.42
TLR9 Q9NR96 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL18760089 0.82 HTR6 (0.41) CA1CA2CA12CA9CA3
SCHEMBL17891971 0.79 ALDH1A1 (0.42) GAACA1CA2CA12CA9
SCHEMBL9341811 0.78 GAA (0.48) GAACA1CA2CA12CA9
SCHEMBL5212059 0.78 GAA (0.48) GAACA1CA2CA12CA9
SCHEMBL273450 0.77 CA12 (0.41) GAACA1CA2CA12CA9
SCHEMBL31249552 0.75 VDR (0.40) GAACA1CA2CA12CA9
SCHEMBL6490 0.73 GAA (0.59) GAACA1CA2CA12CA9
SCHEMBL7186972 0.73 GAA (0.59) GAACA1CA2CA12CA9
Acetonitrile SCHEMBL28199329 0.72 GAA (0.46) GAACA1CA2CA12CA9
SCHEMBL4801283 0.72 CYP1A2 (0.44) GAACA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420649-A Preparation method and application of novel COX-2 targeted near infrared fluorescent molecular probe 西南医科大学附属医院 2024-08-02 CN claimed
CN-117843928-A Controllable synthesis and application of optically active spiral poly-carbene containing adamantane side group in construction of supermolecular polymer brush 合肥工业大学 2024-04-09 CN claimed
CN-117335006-A Lithium ion battery electrolyte and preparation method and application thereof 柳州法恩赛克新能源科技有限公司 2024-01-02 CN claimed
CN-111100227-B Propylene polymerization method and device 中国石油化工股份有限公司 2022-10-21 CN claimed
CN-109438380-B Method for synthesizing 4- (N, N-dialkyl-2-propyne-1-amino) isoxazole 华南理工大学 2022-04-22 CN claimed
CN-109873204-B Ternary lithium ion battery electrolyte and lithium ion battery containing same 杉杉新材料(衢州)有限公司 2020-11-06 CN claimed
CN-111100227-A Propylene polymerization method and device 中国石油化工股份有限公司 2020-05-05 CN claimed
CN-109438380-A A kind of method of synthesis 4- (N, N- dialkyl group -2- propine -1- amino) isoxazole 华南理工大学 2019-03-08 CN claimed
CN-109180737-A Phototoxicity organic compound and its preparation method and application for treating liver cancer 广西中医药大学 2019-01-11 CN claimed
CN-109180740-A The aryl ruthenium complex and its preparation method and application for treating inflammation 广西师范学院 2019-01-11 CN claimed
CN-109096340-A Compound and its preparation method and application for treating inflammation 广西中医药大学 2018-12-28 CN claimed
CN-109021029-A Compound and its preparation method and application for treating gastric cancer 广西中医药大学 2018-12-18 CN claimed
CN-108864202-A Compound and its preparation method and application for treating liver cancer 广西中医药大学 2018-11-23 CN claimed
CN-108752390-A With phototoxic antitumoral compounds and its preparation method and application 广西中医药大学 2018-11-06 CN claimed
CN-105609877-A High-voltage lithium ion battery electrolyte and high-voltage lithium ion battery DONGUAN KAIXIN BATTERY MAT CO LTD 2016-05-25 CN claimed
CN-121377950-A Preparation method of insect sex pheromone (8E, 10E) -dodecene-1-alcohol 石家庄学院 2026-01-23 CN disclosed
CN-119161329-A Novel targeted near infrared fluorescent probe NFA-NIR-Cys and preparation method and application thereof 西南医科大学附属医院 2024-12-20 CN disclosed
US-20050245607-A1 N-bisaryl- and n-aryl-cylcloakylidenyl-alpha-hydroxy-and alpha-alkoxy acid amides SYNGENTA CROP PROTECTION, INC. 2005-11-03 US disclosed
EP-1534664-A1 N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-ALPHA-HYDROXY-AND ALPHA-ALKOXY ACID AMIDES Syngenta Participations AG (CH) 2005-06-01 EP disclosed
WO-2004011417-A1 N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-ALPHA-HYDROXY-AND ALPHA-ALKOXY ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-02-05 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 (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-20050245607-A1 N-bisaryl- and n-aryl-cylcloakylidenyl-alpha-hydroxy-and alpha-alkoxy acid amides CBR3, CBR1, AKR1C3 GAA 2064/4885CA1 765/4885CA2 1478/4885

“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.