SCHEMBL7104779

SCHEMBL7104779

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
TRPA1 O75762 1/20 0.32
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FAAH O00519 1/20 0.31
POLB P06746 1/20 0.30
TSHR P16473 2/20 0.30
LMNA P02545 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
SCHEMBL7104780 1.00 HCAR2 (0.35) HCAR2ALDH1A1NPSR1GLO1TRPA1
SCHEMBL7108058 0.90 ATM (0.43) HCAR2ALDH1A1NPSR1FAAHTSHR
SCHEMBL7108055 0.90 ATM (0.43) HCAR2ALDH1A1NPSR1FAAHTSHR
SCHEMBL7107182 0.88 FAAH (0.45) HCAR2ALDH1A1NPSR1FAAHTSHR
SCHEMBL7107187 0.88 FAAH (0.45) HCAR2ALDH1A1NPSR1FAAHTSHR
SCHEMBL7107108 0.88 HCAR2 (0.34) HCAR2ALDH1A1NPSR1GLO1TRPA1
SCHEMBL7107112 0.88 HCAR2 (0.34) HCAR2ALDH1A1NPSR1GLO1TRPA1
SCHEMBL7108033 0.85 HCAR2 (0.37) HCAR2ALDH1A1NPSR1GLO1TRPA1
SCHEMBL7108037 0.85 HCAR2 (0.37) HCAR2ALDH1A1NPSR1GLO1TRPA1
SCHEMBL7100670 0.85 NPSR1 (0.47) ALDH1A1NPSR1GLO1TRPA1GAA

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 HCAR2 1457/4885ALDH1A1 2333/4885NPSR1 1455/4885

“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.