SCHEMBL2803782

SCHEMBL2803782

O=C(O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.54
▸ GLA P06280 1/20 0.48
▸ APEX1 P27695 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ HPGD P15428 1/20 0.43
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.41
▸ AKR1B1 P15121 3/20 0.41
▸ AKR1B10 O60218 1/20 0.41
▸ AKR1A1 P14550 2/20 0.41
▸ ALDH1A1 P00352 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
SCHEMBL4715037 0.92 GLA (0.51) CYP2C9GLAAPEX1KDM4EHPGD
SCHEMBL4716910 0.91 GLA (0.48) CYP2C9GLAAPEX1KDM4EPTGDR2
SCHEMBL4761013 0.89 PTGDR2 (0.52) CYP2C9PTGDR2
SCHEMBL4713891 0.89 CYP2C9 (0.44) CYP2C9APEX1KDM4EHPGDPTGDR2
SCHEMBL4714193 0.89 GLA (0.52) CYP2C9GLAAPEX1KDM4EHPGD
SCHEMBL4715709 0.88 PTGDR2 (0.45) CYP2C9APEX1PTGDR2AKR1B1AKR1A1
SCHEMBL4716936 0.87 PTGDR2 (0.48) CYP2C9PTGDR2AKR1B1AKR1A1
SCHEMBL14602778 0.87 CYP2C9 (0.44) CYP2C9GLAAPEX1KDM4EHPGD
SCHEMBL4712989 0.87 GLA (0.46) CYP2C9GLAAPEX1KDM4EPTGDR2
SCHEMBL4713097 0.86 CYP2C9 (0.43) CYP2C9APEX1PTGDR2AKR1B1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651403-B1 USE OF LP-PLA2 INHIBITORS IN THE TREATMENT AND PREVENTION OF EYE DISEASES GLAXO GROUP LTD (GB) 2020-12-02 — — EP disclosed
EP-2651403-B1 USE OF LP-PLA2 INHIBITORS IN THE TREATMENT AND PREVENTION OF EYE DISEASES GLAXO GROUP LTD (GB) 2020-12-02 — — EP disclosed
EP-2977452-A2 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2016-01-27 — — EP disclosed
EP-2977452-A2 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2016-01-27 — — EP disclosed
US-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-10-22 — — US disclosed
US-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-10-22 — — US disclosed
US-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-10-22 — — US disclosed
EP-2155225-B1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-07-08 — — EP disclosed
EP-2155225-B1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-07-08 — — EP disclosed
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY 2015-07-02 — — US disclosed
US-20080090853-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 — — US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 — — US disclosed
US-20050245552-A1 N-substituted pyridinone and pyrimidinone derivatives for use as lp-pla2 inhibitors in the treatment of artherosclerosis GLAXO GROUP LIMITED (GB) 2005-11-03 — — US disclosed
US-20050153964-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis GLAXO GROUP LIMITED (GB) 2005-07-14 — — US disclosed
US-20040058941-A1 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 — — US disclosed
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 — — EP disclosed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 — — 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-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS PLA2G12A, PLA2G3, PLA2G4A CYP2C9 4500/4885GLA 205/4885APEX1 2268/4885
US-20050153964-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis LYPLAL1, PLA2G12A, ENPP2 CYP2C9 2467/4885GLA 559/4885APEX1 1035/4885
US-20080090853-A1 Bicyclic Heteroaromatic Compounds GPR6, CNR1, NR3C1 CYP2C9 378/4885GLA 4292/4885APEX1 2785/4885
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, LPAR1, PLA2G1B CYP2C9 4440/4885GLA 166/4885APEX1 2408/4885
US-20050245552-A1 N-substituted pyridinone and pyrimidinone derivatives for use as lp-pla2 inhibitors in the treatment of artherosclerosis PLA2G12A, PLA2G4B, PLA2G1B CYP2C9 2494/4885GLA 694/4885APEX1 1941/4885
US-20040058941-A1 Pyrimidinone derivatives and their use in the treatment of atherosclerosis TYMP, LPL, PLAT CYP2C9 1906/4885GLA 138/4885APEX1 1243/4885
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B CYP2C9 2137/4885GLA 639/4885APEX1 1088/4885

“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.

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