SCHEMBL7103447

SCHEMBL7103447

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.37
GRIA2 P42262 2/20 0.37
GRIA4 P48058 2/20 0.37
GRIK3 Q13003 2/20 0.37
GRIK5 Q16478 2/20 0.37
GRIA1 P42261 1/20 0.37
GRIK2 Q13002 1/20 0.37
TSHR P16473 1/20 0.32
TRPA1 O75762 1/20 0.31
CA2 P00918 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
SCHEMBL7103458 1.00 GRIK1 (0.37) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL4681859 0.78 GRIK1 (0.46) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL1323858 0.78 GRIK1 (0.41) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL7099830 0.78 MAPT (0.31)
SCHEMBL7099832 0.78 MAPT (0.31)
SCHEMBL7103467 0.77 TSHR (0.38) TSHRTRPA1
SCHEMBL7103464 0.77 TSHR (0.38) TSHRTRPA1
SCHEMBL7105181 0.75 NPSR1 (0.44) TRPA1
SCHEMBL7105178 0.75 NPSR1 (0.44) TRPA1
SCHEMBL7107474 0.74 CA1 (0.30) CA2

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 5 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-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 GRIK1 272/4885GRIA2 476/4885GRIA4 1174/4885

“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.