SCHEMBL4511567

SCHEMBL4511567

O=C(O)CCSCC(=O)NCCc1cccc(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
HPGD P15428 3/20 0.43
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
POLB P06746 1/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL4526020 0.90 L3MBTL1 (0.58) L3MBTL1ALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL4519442 0.87 SMN1; SMN2 (0.47) L3MBTL1ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL5077922 0.80 L3MBTL1 (0.58) L3MBTL1ALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL4516425 0.78 SMN1; SMN2 (0.52) L3MBTL1ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL4524971 0.78 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2HPGDKMT2AUSP2
SCHEMBL4535306 0.76 HIF1A (0.51) SMN1; SMN2CTSGCMA1KMT2AHIF1A
SCHEMBL4699564 0.74 TAAR1 (0.55) SMN1; SMN2CTSGCMA1
SCHEMBL1694578 0.72 TAAR1 (0.52) SMN1; SMN2CTSGCMA1KMT2AMAPT
SCHEMBL5846778 0.70 TAAR1 (0.50) SMN1; SMN2CTSGCMA1KMT2AMAPT
SCHEMBL3173731 0.69 L3MBTL1 (0.48) L3MBTL1ALDH1A1SMN1; SMN2HPGDUSP2

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 L3MBTL1 4422/4885ALDH1A1 243/4885SMN1; SMN2 3368/4885

“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.