SCHEMBL4092310

SCHEMBL4092310

O=C(NCc1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1)c1ccc(O)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.81
PTGER2 P43116 2/20 0.67
CYP3A4 P08684 1/20 0.56
MAPK14 Q16539 1/20 0.56
LIPG Q9Y5X9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.45

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
SCHEMBL4450937 0.89 PTGER4 (1.00) PTGER4PTGER2CYP3A4MAPK14
SCHEMBL4450413 0.88 PTGER4 (0.81) PTGER4PTGER2CYP3A4MAPK14LIPG
SCHEMBL7181929 0.87 PTGER4 (0.84) PTGER4PTGER2CYP3A4MAPK14LIPG
SCHEMBL4087663 0.85 PTGER4 (0.74) PTGER4PTGER2LIPGL3MBTL1
SCHEMBL4086210 0.85 MAPK8 (0.64) PTGER4PTGER2CYP3A4MAPK14L3MBTL1
Hydrochloric Acid SCHEMBL6908368 0.85 PTGER4 (0.77) PTGER4PTGER2CYP3A4MAPK14LIPG
SCHEMBL4085505 0.85 PTGER4 (0.77) PTGER4PTGER2CYP3A4MAPK14LIPG
SCHEMBL13954366 0.84 PTGER4 (0.76) PTGER4PTGER2CYP3A4MAPK14LIPG
SCHEMBL4455024 0.83 PTGER4 (0.74) PTGER4PTGER2CYP3A4MAPK14LIPG
SCHEMBL13934834 0.83 PTGER4 (0.88) PTGER4PTGER2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 US claimed
JP-2007500148-A 2007-01-11 JP claimed
EP-1651222-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND AN ANTICHOLINERGIC FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-03 EP claimed
EP-1651208-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND A NOVEL ANTICHOLINERGIC AND THEIR USE FOR TREATING RESPIRATORY DISORDERS Boehringer Ingelheim International GmbH (DE) 2006-05-03 EP claimed
US-20050154006-A1 Pharmaceutical compositions based on a scopineester and nicotinamide derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 US claimed
US-20050043343-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-24 US claimed
WO-2005013967-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND A NOVEL ANTICHOLINERGIC AND THEIR USE FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-17 WO claimed
WO-2005013993-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND AN ANTICHOLINERGIC FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-17 WO claimed
US-20050026886-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US claimed
US-6756392-B2 CARBOCYCLIC SECONDARY AMIDES SUCH AS 2-(4-FLUORO-PHENOXY) -N-(4-((2-HYDROXY-3-METHYL-BENZOYL AMINO)-METHYL)-BENZYL)-NICOTINAMIDE, ADMINISTERED FOR PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS PFIZER INC 2004-06-29 US claimed
US-20030195233-A1 Nicotinamide derivatives useful as PDE4 inhibitors MAGEE THOMAS V (US) 2003-10-16 US claimed
US-20030191158-A1 Antiinflamamtory agents; antiallergens PFIZER INC. 2003-10-09 US claimed
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 US disclosed
EP-1651222-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND AN ANTICHOLINERGIC FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-03 EP disclosed
US-20050154006-A1 Pharmaceutical compositions based on a scopineester and nicotinamide derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 US disclosed
US-20050043343-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-24 US disclosed
US-20050026886-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US disclosed
US-6756392-B2 CARBOCYCLIC SECONDARY AMIDES SUCH AS 2-(4-FLUORO-PHENOXY) -N-(4-((2-HYDROXY-3-METHYL-BENZOYL AMINO)-METHYL)-BENZYL)-NICOTINAMIDE, ADMINISTERED FOR PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS PFIZER INC 2004-06-29 US disclosed
US-20030195233-A1 Nicotinamide derivatives useful as PDE4 inhibitors MAGEE THOMAS V (US) 2003-10-16 US disclosed
US-20030191158-A1 Antiinflamamtory agents; antiallergens PFIZER INC. 2003-10-09 US 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 (6 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-20050026886-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor PDE12, PDE3A, PDE3B PTGER4 198/4885PTGER2 1002/4885CYP3A4 165/4885
US-20030195233-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C PTGER4 49/4885PTGER2 710/4885CYP3A4 356/4885
US-20030191158-A1 Antiinflamamtory agents; antiallergens NNMT, IL5, HNMT PTGER4 290/4885PTGER2 775/4885CYP3A4 1972/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 PTGER4 76/4885PTGER2 38/4885CYP3A4 1343/4885
US-20050043343-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor PDE3A, PDE4B, PDE12 PTGER4 230/4885PTGER2 965/4885CYP3A4 205/4885
US-20050154006-A1 Pharmaceutical compositions based on a scopineester and nicotinamide derivatives NAMPT, NNT, XDH PTGER4 1543/4885PTGER2 2722/4885CYP3A4 78/4885

“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.