SCHEMBL7104544

SCHEMBL7104544

CCC=C(C(=O)CBr)C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7104542 1.00 MAPT (0.32) MAPTHPGDTRPA1ALDH1A1NPSR1
SCHEMBL7104828 0.85 EP300 (0.32) MAPTHPGD
SCHEMBL7104826 0.85 EP300 (0.32) MAPTHPGD
SCHEMBL5918757 0.83 ALDH1A1 (0.36) MAPTHPGDALDH1A1NPSR1
SCHEMBL29438576 0.83 TRPA1 (0.36) TRPA1ALDH1A1
SCHEMBL7100670 0.82 NPSR1 (0.47) MAPTTRPA1ALDH1A1NPSR1
SCHEMBL7100668 0.82 NPSR1 (0.47) MAPTTRPA1ALDH1A1NPSR1
SCHEMBL7106225 0.82 EP300 (0.42)
SCHEMBL7106223 0.82 EP300 (0.42)
SCHEMBL7102042 0.81 MAPT (0.34) MAPTHPGDTRPA1ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1158241-C Processfor prepn. of 2-nialkyl 4-bromo-acetoacetic ester ס�ѻ�ѧ��ҵ��ʽ���� 2004-07-21 CN disclosed
EP-1000939-B1 Producing z-isomer of hydrogen bromide salt of 2-aminothiazole derivative SUMITOMO CHEMICAL CO (JP) 2003-09-17 EP disclosed
EP-0999202-B1 Process for producing 2-alkylidene-4-bromoacetoacetic acid ester SUMITOMO CHEMICAL CO (JP) 2003-03-19 EP disclosed
US-6469200-B1 A PROCESS WHICH CAN PROVIDE THE DESIRED 2-ALKYLIDENE-4-BROMOACETOACETIC ACID ESTER BY USING, AS A STARTING MATERIAL, A 4-BROMOACETOACETIC ACID ESTER WHICH CAN BE READILY DERIVED FROM AN ACETOACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-22 US disclosed
US-6403572-B1 REACTING ACID SALT OF A 2-AMINOTHIAZOLE COMPOUND WITH INORGANIC ACID SUMITOMO CHEMICAL CO., LTD. (JP) 2002-06-11 US disclosed
US-20020058818-A1 Producing Z-isomer of hydrogen bromide salt of 2-aminothiazole derivative SUMITOMO CHEMICAL CO., LTD. 2002-05-16 US disclosed
US-6340763-B1 SALT FORMATION AND CRYSTALLIZATION, REACTION OF HALOGENATED COMPOUND AND THIOUREA COMPOUND SUMITOMO CHEMICAL CO., LTD. (JP) 2002-01-22 US disclosed
JP-2000290270-A PRODUCTION OF ACID ADDITION SALT OF (Z)-2-AMINOTHIAZOLE COMPOUND SUMITOMO CHEM CO LTD 2000-10-17 JP disclosed
CN-1255488-A Processfor prepn. of 2-nialkyl 4-bromo-acetoacetic ester SUMITOMO CHEM ENG (JP) 2000-06-07 CN disclosed
EP-1000939-A1 Producing z-isomer of hydrogen bromide salt of 2-aminothiazole derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-17 EP disclosed
EP-0999202-A1 Process for producing 2-alkylidene-4-bromoacetoacetic acid ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-10 EP disclosed
EP-0594263-B1 INTERMEDIATES FOR THE PREPARATION OF THIOALKYLTHIO CEPHALOSPORIN DERIVATIVES SHIONOGI & CO (JP) 1999-06-09 EP disclosed
CN-1034504-C Thioalkylthio cephalosporin derivatives SHIONOGI & CO (JP) 1997-04-09 CN disclosed
US-5352792-A Bactericides SHIONOGI & CO., LTD. (JP) 1994-10-04 US disclosed
EP-0467647-B1 Thioalkylthio cephalosporin derivatives SHIONOGI & CO (JP) 1994-08-17 EP disclosed
EP-0594263-A1 Thioalkylthio cephalosporin derivatives and intermediates SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1994-04-27 EP disclosed
US-5214037-A Antibiotic, bactericide SHIONOGI & CO., LTD. (JP) 1993-05-25 US disclosed
EP-0467647-A2 Thioalkylthio cephalosporin derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-01-22 EP 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-20020058818-A1 Producing Z-isomer of hydrogen bromide salt of 2-aminothiazole derivative ZYX, H1-0, HAO2 MAPT 1584/4885HPGD 1873/4885TRPA1 1499/4885

“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.