SCHEMBL4514440

SCHEMBL4514440

O=CCCSCCOCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CA2 P00918 3/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
CES1 P23141 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
DRD2 P14416 1/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 2/20 0.36
HIF1A Q16665 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4519706 0.91 ADRB2 (0.44) ADRB2ADRB1CYP1A2CYP2D6CYP2C19
SCHEMBL4589153 0.83 RAB9A (0.39) CYP1A2TDP1MAPK1RAB9A
SCHEMBL3898280 0.83 CA1 (0.44) CA2CA1CA9HCAR2TSHR
SCHEMBL4523532 0.81 CA1 (0.43) CA2CA1CA9HCAR2TSHR
SCHEMBL8398239 0.80 CA2 (0.53) CYP1A2CYP2D6CYP2C19CA2MAPK1
SCHEMBL8673807 0.80 MEN1 (0.42) CA2CA1CA9HCAR2TSHR
SCHEMBL23531292 0.78 TDP1 (0.42) TDP1HIF1A
SCHEMBL8528336 0.78 HTT (0.40) CA2CA1CA9NPC1ALDH1A1
SCHEMBL4531503 0.77 CYP2C19 (0.57) CYP2C19CES1TDP1MAPK1SMN1; SMN2
SCHEMBL4514641 0.77 ADRB2 (0.46) ADRB2ADRB1CYP1A2CYP2D6CYP2C19

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 ADRB2 1/4885ADRB1 2/4885CYP1A2 129/4885

“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.