SCHEMBL7105178

SCHEMBL7105178

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.44
GLO1 Q04760 1/20 0.44
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.41
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 4/20 0.35
DHODH Q02127 2/20 0.35
SOAT1 P35610 1/20 0.34
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL7105181 1.00 NPSR1 (0.44) NPSR1GLO1ALDH1A1TRPA1CYP2D6
SCHEMBL7100096 0.86 HCAR2 (0.33) NPSR1GLO1ALDH1A1TRPA1SMN1; SMN2
SCHEMBL7100093 0.86 HCAR2 (0.33) NPSR1GLO1ALDH1A1TRPA1SMN1; SMN2
SCHEMBL13269686 0.85 NPSR1 (0.54) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL2920090 0.85 NPSR1 (0.54) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL7105688 0.83 ATM (0.41) NPSR1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL7105685 0.83 ATM (0.41) NPSR1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL7107468 0.82 FAAH (0.43) NPSR1ALDH1A1LMNAMAPK1FAAH
SCHEMBL7107464 0.82 FAAH (0.43) NPSR1ALDH1A1LMNAMAPK1FAAH
SCHEMBL7007560 0.82 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2

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.