SCHEMBL7100745

SCHEMBL7100745

CC/C=C(\C(=O)O)C(=O)CBr

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.38
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
FFAR3 O14843 1/20 0.33
TSHR P16473 1/20 0.33
TRPA1 O75762 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL7100748 1.00 EP300 (0.38) EP300GRIK1GRIK2FFAR3TSHR
SCHEMBL29438576 0.88 TRPA1 (0.36) FFAR3TSHRTRPA1ALDH1A1
SCHEMBL7108049 0.83 EP300 (0.48) EP300GRIK1GRIK2FFAR3TSHR
SCHEMBL7108047 0.83 EP300 (0.48) EP300GRIK1GRIK2FFAR3TSHR
SCHEMBL29210205 0.80 EP300 (0.46) EP300GRIK1GRIK2FFAR3ALDH1A1
SCHEMBL190066 0.80 EP300 (0.52) EP300GRIK1GRIK2FFAR3ALDH1A1
SCHEMBL7105789 0.79 EP300 (0.60) EP300GRIK1TSHRTRPA1
SCHEMBL7105784 0.79 EP300 (0.60) EP300GRIK1TSHRTRPA1
SCHEMBL7103467 0.78 TSHR (0.38) EP300FFAR3TSHRTRPA1
SCHEMBL7103464 0.78 TSHR (0.38) EP300FFAR3TSHRTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000939-B1 Producing z-isomer of hydrogen bromide salt of 2-aminothiazole derivative SUMITOMO CHEMICAL CO (JP) 2003-09-17 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
EP-1000939-A1 Producing z-isomer of hydrogen bromide salt of 2-aminothiazole derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-17 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 EP300 2578/4885GRIK1 272/4885GRIK2 153/4885

“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.