SCHEMBL4524971

SCHEMBL4524971

O=C(O)CCSCC(=O)NCCc1cccc(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
KMT2A Q03164 3/20 0.72
SMN1; SMN2 Q16637 3/20 0.69
HPGD P15428 4/20 0.67
MEN1 O00255 1/20 0.62
MAPT P10636 2/20 0.62
PLAAT3 P53816 2/20 0.55
PLAAT5 Q96KN8 2/20 0.55
PLAAT2 Q9NWW9 2/20 0.55
PLAAT4 Q9UL19 2/20 0.55
TAAR1 Q96RJ0 2/20 0.53
USP2 O75604 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
CNR1 P21554 1/20 0.50
TP53 P04637 1/20 0.48

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
SCHEMBL4516777 0.87 ALDH1A1 (0.60) ALDH1A1KMT2ASMN1; SMN2HPGDMEN1
SCHEMBL23417641 0.78 SMN1; SMN2 (0.84) ALDH1A1KMT2ASMN1; SMN2HPGDMEN1
SCHEMBL4511567 0.78 L3MBTL1 (0.49) ALDH1A1KMT2ASMN1; SMN2HPGDMAPT
SCHEMBL4526020 0.77 L3MBTL1 (0.58) ALDH1A1SMN1; SMN2HPGDPLAAT3PLAAT5
SCHEMBL17117265 0.76 HPGD (0.61) ALDH1A1SMN1; SMN2HPGDMAPTTAAR1
SCHEMBL4525519 0.76 ALDH1A1 (0.72) ALDH1A1KMT2ASMN1; SMN2HPGDMEN1
SCHEMBL14241870 0.76 ALDH1A1 (0.71) ALDH1A1KMT2ASMN1; SMN2HPGDMEN1
SCHEMBL80581 0.74 ALDH1A1 (0.67) ALDH1A1KMT2ASMN1; SMN2HPGDMEN1
SCHEMBL31370008 0.74 ALDH1A1 (0.67) ALDH1A1KMT2ASMN1; SMN2HPGDMEN1
SCHEMBL19438778 0.73 SMN1; SMN2 (0.50) ALDH1A1KMT2ASMN1; SMN2HPGDMEN1

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 ALDH1A1 243/4885KMT2A 1651/4885SMN1; 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.