SCHEMBL4526020

SCHEMBL4526020

O=C(O)CCSCC(=O)NCCc1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
HIF1A Q16665 2/20 0.51
PLAAT3 P53816 2/20 0.50
PLAAT5 Q96KN8 2/20 0.50
PLAAT2 Q9NWW9 2/20 0.50
PLAAT4 Q9UL19 2/20 0.50
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CNR1 P21554 1/20 0.47
HPGD P15428 3/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL4511567 0.90 L3MBTL1 (0.49) L3MBTL1HIF1APLAAT3PLAAT5PLAAT2
SCHEMBL5077922 0.90 L3MBTL1 (0.58) L3MBTL1HIF1APLAAT3PLAAT5PLAAT2
SCHEMBL4516425 0.87 SMN1; SMN2 (0.52) L3MBTL1HIF1APLAAT3PLAAT5PLAAT2
SCHEMBL4519442 0.79 SMN1; SMN2 (0.47) L3MBTL1ALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL3173731 0.78 L3MBTL1 (0.48) L3MBTL1HIF1APLAAT3PLAAT5PLAAT2
SCHEMBL4524971 0.77 ALDH1A1 (0.72) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL27680999 0.77 HIF1A (0.60) L3MBTL1HIF1APLAAT3PLAAT5PLAAT2
SCHEMBL1180411 0.75 HIF1A (0.67) HIF1APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL14241832 0.74 HIF1A (0.57) HIF1APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9425562 0.74 HIF1A (0.57) L3MBTL1HIF1APLAAT3PLAAT5PLAAT2

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
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
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
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 L3MBTL1 4422/4885HIF1A 691/4885PLAAT3 3289/4885

“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.