SCHEMBL7100668

SCHEMBL7100668

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.47
GLO1 Q04760 1/20 0.47
ALDH1A1 P00352 4/20 0.43
TRPA1 O75762 1/20 0.43
CYP2D6 P10635 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
SOAT1 P35610 1/20 0.37
DHODH Q02127 2/20 0.37
GAA P10253 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7100670 1.00 NPSR1 (0.47) NPSR1GLO1ALDH1A1TRPA1CYP2D6
SCHEMBL7104682 0.85 NPSR1 (0.44) NPSR1GLO1ALDH1A1TRPA1CYP2D6
SCHEMBL7104780 0.85 HCAR2 (0.35) NPSR1GLO1ALDH1A1TRPA1SMN1; SMN2
SCHEMBL7104779 0.85 HCAR2 (0.35) NPSR1GLO1ALDH1A1TRPA1SMN1; SMN2
SCHEMBL7104683 0.85 NPSR1 (0.44) NPSR1GLO1ALDH1A1TRPA1CYP2D6
SCHEMBL7103341 0.84 NPSR1 (0.50) NPSR1GLO1ALDH1A1TRPA1CYP2D6
SCHEMBL7103340 0.84 NPSR1 (0.50) NPSR1GLO1ALDH1A1TRPA1CYP2D6
SCHEMBL1939600 0.83 NPSR1 (0.58) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL13269641 0.83 NPSR1 (0.58) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL7104544 0.82 MAPT (0.32) NPSR1ALDH1A1TRPA1MAPT

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 NPSR1 1455/4885GLO1 2790/4885ALDH1A1 2333/4885

“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.