SCHEMBL6010522

SCHEMBL6010522

CC=CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
CA2 P00918 1/20 0.54
CASP3 P42574 1/20 0.53
ALDH1A1 P00352 1/20 0.47
GLS O94925 1/20 0.46
DRD3 P35462 1/20 0.44
RPS6KA2 Q15349 1/20 0.43

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
SCHEMBL12223397 1.00 CA12 (0.54) CA12CA9CA2CASP3ALDH1A1
SCHEMBL10237149 1.00 CA12 (0.54) CA12CA9CA2CASP3ALDH1A1
SCHEMBL8950475 0.87 CASP3 (0.60) CA12CA9CASP3ALDH1A1GLS
SCHEMBL4468251 0.87 CASP3 (0.60) CA12CA9CASP3ALDH1A1GLS
SCHEMBL4476083 0.87 CASP3 (0.60) CA12CA9CASP3ALDH1A1GLS
SCHEMBL8083226 0.87 CASP3 (0.49) CA12CA9CA2CASP3ALDH1A1
SCHEMBL8083231 0.87 CASP3 (0.49) CA12CA9CA2CASP3ALDH1A1
SCHEMBL18348911 0.84 TERT (0.47) CA12CA9CA2CASP3ALDH1A1
SCHEMBL5394867 0.83 CASP3 (0.56) CA12CA9CASP3ALDH1A1GLS
SCHEMBL12439955 0.82 CASP3 (0.51) CA12CA9CASP3ALDH1A1GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713790-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID (S)-3-METHYL-1- ((4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZ EPAN-4-YLCARBAMOYL-BUTYL)-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP claimed
WO-2005069981-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[(4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZEPAN-4-YLCARBAMOYL]-BUTYL}-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2005-08-04 WO claimed
CN-117263785-A Method for linear chain selective hydroformylation of olefin by palladium catalysis 常州大学 2023-12-22 CN disclosed
EP-4003952-A1 DIFLUOROHALOALLYLAMINE SULFONE DERIVATIVE INHIBITORS OF LYSYL OXIDASES, METHODS OF PREPARATION, AND USES THEREOF Pharmaxis Ltd. (AU) 2022-06-01 EP disclosed
US-20220127228-A1 METHOD FOR PRODUCING DICHLORO ADDITION PRODUCT OF ALIPHATIC OLEFIN BY PHOTOCATALYSIS UNDER VISIBLE LIGHT SOOCHOW UNIVERSITY (CN) 2022-04-28 US disclosed
CN-110078762-B Method for preparing beta-mercapto phosphonyl derivatives 苏州大学 2021-12-10 CN disclosed
CN-110105387-B Preparation methodβProcess for preparing phosphono-sulfonic acid derivatives 苏州大学 2021-12-10 CN disclosed
US-10800679-B2 Fluidized bed and hybrid suspension electrodes for energy storage and water desalination systems TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LIMITED (IL) 2020-10-13 US disclosed
US-20190152811-A1 FLUIDIZED BED AND HYBRID SUSPENSION ELECTRODES FOR ENERGY STORAGE AND WATER DESALINATION SYSTEMS TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LIMITED (IL) 2019-05-23 US disclosed
CN-102264733-A novel dopamine D3 receptor ligand, preparation method and medical application thereof 2011-11-30 CN disclosed
US-7238795-B2 Nucleic acid binding compounds containing pyrazolo[3,4-d]pyrimidine analogues of purin-2,6-diamine and their uses ROCHE MOLECULAR SYSTEMS, INC. (US) 2007-07-03 US disclosed
US-5061795-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 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 (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-20220127228-A1 METHOD FOR PRODUCING DICHLORO ADDITION PRODUCT OF ALIPHATIC OLEFIN BY PHOTOCATALYSIS UNDER VISIBLE LIGHT AOC1, AOC2, AOC3 CA12 481/4885CA9 827/4885CA2 462/4885

“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.