SCHEMBL4517490

SCHEMBL4517490

OCCCSCCOCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL4518227 0.93 TDP1 (0.44) TDP1CYP1A2CYP2D6CYP2C19LTA4H
SCHEMBL4514920 0.87 TDP1 (0.44) TDP1CYP1A2CYP2D6CYP2C19LTA4H
SCHEMBL4590159 0.82 CYP1A2 (0.42) TDP1CYP1A2MAPK1
SCHEMBL6268788 0.82 TDP1 (0.54) TDP1LTA4HEPHX2TSHRMAPK1
SCHEMBL8673473 0.80 TDP1 (0.52) TDP1LTA4HEPHX2RAB9ASMN1; SMN2
SCHEMBL23015017 0.79 TDP1 (0.50) TDP1CYP1A2CYP2D6CYP2C19LTA4H
SCHEMBL1007811 0.79 TDP1 (0.50) TDP1CYP1A2CYP2D6LTA4HEPHX2
SCHEMBL28753423 0.79 TDP1 (0.50) TDP1CYP1A2CYP2D6CYP2C19LTA4H
SCHEMBL4531503 0.79 CYP2C19 (0.57) TDP1CYP2C19MAPK1SMN1; SMN2HSD17B10
SCHEMBL1180141 0.78 TDP1 (0.58) TDP1LTA4HEPHX2NPC1ALDH1A1

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 TDP1 4235/4885CYP1A2 129/4885CYP2D6 496/4885

“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.