SCHEMBL7100096

SCHEMBL7100096

CCCOC(=O)C(=CC(C)C)C(=O)CBr

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.33
ESR1 P03372 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A2 P23975 1/20 0.31
KDR P35968 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLO1 Q04760 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL7100093 1.00 HCAR2 (0.33) HCAR2GAASMN1; SMN2ALDH1A1ESR1
SCHEMBL7105688 0.90 ATM (0.41) HCAR2SMN1; SMN2ALDH1A1ESR1TSHR
SCHEMBL7105685 0.90 ATM (0.41) HCAR2SMN1; SMN2ALDH1A1ESR1TSHR
SCHEMBL7107464 0.89 FAAH (0.43) HCAR2ALDH1A1TSHRNPSR1
SCHEMBL7107468 0.89 FAAH (0.43) HCAR2ALDH1A1TSHRNPSR1
SCHEMBL7105178 0.86 NPSR1 (0.44) GAASMN1; SMN2ALDH1A1TDP1NPSR1
SCHEMBL7105181 0.86 NPSR1 (0.44) GAASMN1; SMN2ALDH1A1TDP1NPSR1
SCHEMBL15913414 0.86 HCAR2 (0.39) HCAR2GAASMN1; SMN2ALDH1A1ESR1
SCHEMBL7108033 0.82 HCAR2 (0.37) HCAR2GAASMN1; SMN2ALDH1A1ESR1
SCHEMBL7108037 0.82 HCAR2 (0.37) HCAR2GAASMN1; SMN2ALDH1A1ESR1

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 1457/4885GAA 4572/4885SMN1; SMN2 3586/4885

“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.