SCHEMBL4535289

SCHEMBL4535289

O=CCCSCCN(CCc1cccc(Cl)c1Cl)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.37
PTPRG P23470 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
DRD2 P14416 2/20 0.33
CTSG P08311 1/20 0.33
CMA1 P23946 1/20 0.33
PNMT P11086 1/20 0.33
EGFR P00533 3/20 0.31
ERBB2 P04626 2/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 2/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TMEM97 Q5BJF2 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
SCHEMBL4517362 0.90 TAAR1 (0.40) TAAR1SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL4519480 0.84 PTPRC (0.38) PTPRCPTPRGTAAR1SMN1; SMN2NPSR1
SCHEMBL4524941 0.82 PTPRC (0.36) PTPRCPTPRGTAAR1SMN1; SMN2NPSR1
SCHEMBL4524801 0.80 PTPRC (0.38) PTPRCPTPRGTAAR1SMN1; SMN2NPSR1
SCHEMBL4534868 0.79 TAAR1 (0.43) TAAR1SMN1; SMN2ALDH1A1HPGD
SCHEMBL13712817 0.75 TAAR1 (0.38) TAAR1SMN1; SMN2TSHRLMNAMAPT
SCHEMBL4531454 0.75 TAAR1 (0.41) PTPRCPTPRGTAAR1SMN1; SMN2NPSR1
SCHEMBL4524834 0.74 TAAR1 (0.41) TAAR1SMN1; SMN2ALDH1A1GAA
SCHEMBL4589466 0.73 TAAR1 (0.42) PTPRCPTPRGTAAR1SMN1; SMN2NPSR1
SCHEMBL1180759 0.72 TAAR1 (0.39) TAAR1SMN1; SMN2EGFRALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-09-03 US disclosed
EP-1937656-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007027134-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 WO 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-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA2C PTPRC 3950/4885PTPRG 2473/4885TAAR1 70/4885

“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.