SCHEMBL585478

SCHEMBL585478

O=C(O)Cc1cc(O)cc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.50
CA2 P00918 2/20 0.48
CAMK2A Q9UQM7 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
GAA P10253 4/20 0.44
TSHR P16473 3/20 0.44
POLB P06746 2/20 0.44
NFKB1 P19838 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RGS12 O14924 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
APEX1 P27695 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
GNAI1 P63096 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
SCHEMBL8512 0.87 AKR1B1 (0.48) CA2CAMK2AGAATSHRPOLB
Hydrochloric Acid SCHEMBL3297493 0.85 AKR1B1 (0.46) CA2CAMK2AGAATSHRPOLB
SCHEMBL477986 0.84 CA2 (0.58) CA2CAMK2ACA12CA1CA9
SCHEMBL1401565 0.79 CYP4F2 (0.49) CA2CAMK2AGAATSHRPOLB
SCHEMBL156863 0.78 FFAR4 (0.43) CA2GAATSHRPOLBNFKB1
SCHEMBL867785 0.78 AGBL2 (0.43) CA2CAMK2AGAATSHRPOLB
SCHEMBL10241639 0.78 THRB (0.43) CA2CAMK2AGAATSHRPOLB
SCHEMBL1560270 0.78 AKR1B1 (0.49) GAATSHRPOLBNFKB1TDP1
SCHEMBL1244833 0.78 RXRA (0.41) CA2CAMK2AGAATSHRPOLB
SCHEMBL27830212 0.78 RXRA (0.41) CA2CAMK2AGAATSHRPOLB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101326161-B Novel compounds ASTRAZENECA AB 2013-04-17 CN disclosed
US-8148572-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
EP-1963259-B1 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
EP-2305640-A2 Substituted diphenyl-ethers, -amines, -sulfides and -methanes for the treatment of respiratory diseases AstraZeneca AB (SE) 2011-04-06 EP disclosed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP disclosed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 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 (2 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-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease PNMT, SQOR, SMS HCAR1 3083/4885CA2 3697/4885CAMK2A 4874/4885
US-20090192163-A1 Novel Compounds PAH, PC, DDC HCAR1 21/4885CA2 513/4885CAMK2A 1307/4885

“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.