SCHEMBL1180264

SCHEMBL1180264

O=C(O)CCOCCc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
FFAR4 Q5NUL3 1/20 0.55
FFAR1 O14842 1/20 0.53
AKR1B1 P15121 1/20 0.53
CYP1A2 P05177 1/20 0.49
KDM4E B2RXH2 3/20 0.48
CDYL Q9Y232 1/20 0.48
MTNR1A P48039 2/20 0.48
S1PR5 Q9H228 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CMA1 P23946 1/20 0.46
MCL1 Q07820 2/20 0.45
CTNNB1 P35222 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 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
SCHEMBL4510057 0.98 TDP1 (0.54) TDP1FFAR4FFAR1AKR1B1CYP1A2
Naphthalene SCHEMBL1848110 0.93 FFAR4 (0.50) TDP1FFAR4FFAR1AKR1B1CYP1A2
SCHEMBL1820018 0.87 FFAR4 (0.46) TDP1FFAR4FFAR1AKR1B1CYP1A2
SCHEMBL4564283 0.86 MTNR1A (0.54) TDP1FFAR4FFAR1AKR1B1KDM4E
SCHEMBL48684 0.86 TDP1 (0.57) TDP1FFAR4FFAR1AKR1B1CYP1A2
SCHEMBL7791197 0.85 FFAR4 (0.48) TDP1FFAR4FFAR1AKR1B1CYP1A2
SCHEMBL586305 0.85 CYP1A2 (0.52) TDP1AKR1B1CYP1A2CDYLMTNR1A
SCHEMBL30307853 0.83 TDP1 (0.67) TDP1FFAR4FFAR1AKR1B1CYP1A2
SCHEMBL1218835 0.83 TDP1 (0.67) TDP1FFAR4FFAR1AKR1B1CYP1A2
Hydrochloric Acid SCHEMBL11319694 0.82 TDP1 (0.65) TDP1FFAR4FFAR1AKR1B1CYP1A2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058294-B2 Of N-[2-(Diethylamino)ethyl]-N-(2-{[2-(4-hydroxy-2-oxo-2,3-dihydro-1,3-benzothiazol-7-yl)ethyl]amino}ethyl)-3-[2-(1-naphthyl)ethoxy]propanamide; asthma and chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-11-15 US disclosed
US-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2011-10-06 US disclosed
EP-2364704-A1 Combination of beta-adrenoceptor agonist and corticosteroid AstraZeneca AB (SE) 2011-09-14 EP disclosed
EP-2117542-B1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2011-08-17 EP disclosed
US-20110190309-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A Beta2-ADRENOCEPTOR AGONIST PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-08-04 US disclosed
EP-2323656-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST AstraZeneca AB (SE) 2011-05-25 EP disclosed
EP-2315589-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A beta2-ADRENOCEPTOR AGONIST AstraZeneca AB (SE) 2011-05-04 EP disclosed
US-20110046191-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD. (GB) 2011-02-24 US disclosed
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
US-20080249145-A1 Salts 668 ASTRAZENECA AB (SE) 2008-10-09 US disclosed
US-20080242649-A1 New Combination 665 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
EP-1957471-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-08-20 EP disclosed
WO-2008096126-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096111-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-08-14 WO disclosed
WO-2008096112-A1 SALTS 668 ASTRAZENECA AB (SE) 2008-08-14 WO disclosed
EP-1915354-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007027133-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
WO-2007018461-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-15 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 (7 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-20080249145-A1 Salts 668 DNPEP, SCN8A, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TDP1 3343/4885FFAR4 2631/4885FFAR1 3028/4885
US-20080300275-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 TDP1 2812/4885FFAR4 1795/4885FFAR1 1540/4885
US-20110190309-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A Beta2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A TDP1 4472/4885FFAR4 271/4885FFAR1 253/4885
US-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A TDP1 4474/4885FFAR4 268/4885FFAR1 249/4885
US-20110046191-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A TDP1 4400/4885FFAR4 232/4885FFAR1 248/4885
US-20080242649-A1 New Combination 665 NR3C2, PTGER2, GRK5 TDP1 1722/4885FFAR4 1166/4885FFAR1 412/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 TDP1 2812/4885FFAR4 1795/4885FFAR1 1540/4885

“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.