SCHEMBL4085505

SCHEMBL4085505

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

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.77
PTGER2 P43116 2/20 0.64
LIPG Q9Y5X9 1/20 0.47
CYP3A4 P08684 1/20 0.46
MAPK14 Q16539 1/20 0.46
MAPK8 P45983 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.44
THRB P10828 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
SCHEMBL7181929 0.89 PTGER4 (0.84) PTGER4PTGER2LIPGCYP3A4MAPK14
SCHEMBL4450937 0.87 PTGER4 (1.00) PTGER4PTGER2CYP3A4MAPK14MAPK8
Hydrochloric Acid SCHEMBL6908368 0.87 PTGER4 (0.77) PTGER4PTGER2LIPGCYP3A4MAPK14
SCHEMBL6049419 0.87 PTGER4 (0.70) PTGER4PTGER2LIPGCYP3A4MAPK14
SCHEMBL13954366 0.86 PTGER4 (0.76) PTGER4PTGER2LIPGCYP3A4MAPK14
SCHEMBL4450413 0.85 PTGER4 (0.81) PTGER4PTGER2LIPGCYP3A4MAPK14
SCHEMBL4087663 0.85 PTGER4 (0.74) PTGER4PTGER2LIPGMAPK8LMNA
SCHEMBL4092310 0.85 PTGER4 (0.81) PTGER4PTGER2LIPGCYP3A4MAPK14
SCHEMBL4455024 0.85 PTGER4 (0.74) PTGER4PTGER2LIPGCYP3A4MAPK14
SCHEMBL6908965 0.83 PTGER4 (0.71) PTGER4PTGER2LIPGCYP3A4MAPK14

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
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
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
EP-2116245-A2 EGFR kinase inhibitor combinations for treating respiratory and gastrointestinal disorders Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 US disclosed
EP-1784224-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS Boehringer Ingelheim International GmbH (DE) 2007-05-16 EP 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
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 disclosed
WO-2006015775-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 WO 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
WO-2005013993-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND AN ANTICHOLINERGIC FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-17 WO disclosed
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 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 1002/4885LIPG 3308/4885
US-20030195233-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C PTGER4 49/4885PTGER2 710/4885LIPG 1790/4885
US-20030191158-A1 Antiinflamamtory agents; antiallergens NNMT, IL5, HNMT PTGER4 290/4885PTGER2 775/4885LIPG 4598/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 PTGER4 76/4885PTGER2 38/4885LIPG 608/4885
US-20050043343-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor PDE3A, PDE4B, PDE12 PTGER4 230/4885PTGER2 965/4885LIPG 3805/4885
US-20050154006-A1 Pharmaceutical compositions based on a scopineester and nicotinamide derivatives NAMPT, NNT, XDH PTGER4 1543/4885PTGER2 2722/4885LIPG 4201/4885

“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.