SCHEMBL4524941

SCHEMBL4524941

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.36
PTPRG P23470 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
DRD2 P14416 2/20 0.33
EGFR P00533 1/20 0.32
CTSG P08311 1/20 0.32
CMA1 P23946 1/20 0.32
PNMT P11086 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL1180759 0.91 TAAR1 (0.39) TAAR1SMN1; SMN2EGFRL3MBTL1
SCHEMBL4524801 0.86 PTPRC (0.38) PTPRCPTPRGTAAR1SMN1; SMN2NPSR1
SCHEMBL4535289 0.82 PTPRC (0.37) PTPRCPTPRGTAAR1SMN1; SMN2NPSR1
SCHEMBL4519480 0.81 PTPRC (0.38) PTPRCPTPRGTAAR1SMN1; SMN2NPSR1
SCHEMBL4529767 0.79 TAAR1 (0.42) TAAR1SMN1; SMN2
SCHEMBL4730554 0.79 MEN1 (0.44) SMN1; SMN2GAAL3MBTL1
SCHEMBL1181113 0.76 TAAR1 (0.41) TAAR1SMN1; SMN2L3MBTL1
SCHEMBL1180197 0.76 TAAR1 (0.37) TAAR1L3MBTL1TSHR
SCHEMBL4533716 0.74 LMNA (0.35) CYP3A4CYP2C9CYP2C19
SCHEMBL4531454 0.74 TAAR1 (0.41) PTPRCPTPRGTAAR1SMN1; SMN2NPSR1

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 1 patent. 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

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.