SCHEMBL4524834

SCHEMBL4524834

O=C(O)N(CCSCCCO)CCc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
AOC3 Q16853 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PLAAT3 P53816 2/20 0.38
PLAAT5 Q96KN8 2/20 0.38
PLAAT2 Q9NWW9 2/20 0.38
PLAAT4 Q9UL19 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 2/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
CNR1 P21554 1/20 0.35
GLS O94925 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 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
SCHEMBL4519480 0.90 PTPRC (0.38) TAAR1L3MBTL1SMN1; SMN2
SCHEMBL1181113 0.90 TAAR1 (0.41) TAAR1AOC3L3MBTL1PLAAT3PLAAT5
SCHEMBL4517362 0.84 TAAR1 (0.40) TAAR1AOC3L3MBTL1PLAAT3PLAAT5
SCHEMBL13712818 0.83 TAAR1 (0.39) TAAR1AOC3L3MBTL1NPC1RAB9A
SCHEMBL13711755 0.80 TAAR1 (0.51) TAAR1AOC3HTR3EHTR3BHTR3A
SCHEMBL4524801 0.80 PTPRC (0.38) TAAR1L3MBTL1SMN1; SMN2
SCHEMBL1180759 0.80 TAAR1 (0.39) TAAR1AOC3L3MBTL1PLAAT3PLAAT5
SCHEMBL4519449 0.78 TAAR1 (0.43) TAAR1AOC3PLAAT3PLAAT5PLAAT2
SCHEMBL18568293 0.76 TAAR1 (0.53) TAAR1AOC3PLAAT3PLAAT5PLAAT2
SCHEMBL18567626 0.75 TAAR1 (0.50) TAAR1AOC3L3MBTL1PLAAT3PLAAT5

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 TAAR1 70/4885AOC3 900/4885L3MBTL1 4422/4885

“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.