SCHEMBL2776298

SCHEMBL2776298

CC(=O)Oc1ccc(F)cc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.56
FFAR1 O14842 3/20 0.55
FFAR4 Q5NUL3 3/20 0.55
MRGPRX4 Q96LA9 3/20 0.52
AKR1C3 P42330 2/20 0.50
NPC1 O15118 1/20 0.50
BRD4 O60885 1/20 0.50
LRRK2 Q5S007 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 2/20 0.47
PTGER1 P34995 1/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1115032 0.86 PTPN1 (0.61) PTPN1MRGPRX4NPC1BRD4L3MBTL1
SCHEMBL28085586 0.86 AKR1C3 (0.54) FFAR1FFAR4MRGPRX4AKR1C3NPC1
SCHEMBL28238348 0.86 FFAR1 (0.55) FFAR1FFAR4MRGPRX4AKR1C3NPC1
SCHEMBL8000403 0.84 MAOB (0.57) PTPN1L3MBTL1ALDH1A1SMPD1HDAC1
SCHEMBL6702501 0.84 PTPN1 (0.57) PTPN1FFAR4BRD4L3MBTL1ALDH1A1
SCHEMBL6199290 0.82 MTNR1A (0.57) PTPN1MRGPRX4AKR1C3NPC1LRRK2
SCHEMBL28085693 0.82 PTPN1 (0.54) PTPN1FFAR1FFAR4BRD4L3MBTL1
SCHEMBL29707531 0.81 LRRK2 (0.60) MRGPRX4NPC1BRD4LRRK2L3MBTL1
SCHEMBL1041517 0.81 MAOB (0.61) FFAR1FFAR4NPC1BRD4LRRK2
SCHEMBL30956730 0.81 MAOB (0.61) FFAR1FFAR4NPC1BRD4LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102557971-B Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2015-06-17 CN disclosed
CN-102557971-A Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2012-07-11 CN disclosed
CN-101014564-B Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2012-05-09 CN disclosed
CN-102046618-A Hydroxyquinoxalinecarboxamide derivative DAIICHI SANKYO CO LTD 2011-05-04 CN disclosed
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP disclosed
CN-101014564-A Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB (SE) 2007-08-08 CN disclosed
EP-1765768-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2006005909-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2006-01-19 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-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE F12, F2, C3AR1 PTPN1 2343/4885FFAR1 2059/4885FFAR4 2327/4885

“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.