SCHEMBL4087663

SCHEMBL4087663

O=C(NCc1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1)c1ccccc1O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.74
PTGER2 P43116 2/20 0.62
MAPK8 P45983 1/20 0.52
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
LIPG Q9Y5X9 1/20 0.47
RAB9A P51151 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
SCHEMBL4087178 0.87 MAPK8 (0.69) PTGER4MAPK8KMT2ALMNA
SCHEMBL7181929 0.87 PTGER4 (0.84) PTGER4PTGER2MAPK8KMT2ALMNA
SCHEMBL4092310 0.85 PTGER4 (0.81) PTGER4PTGER2L3MBTL1LIPG
Hydrochloric Acid SCHEMBL6908368 0.85 PTGER4 (0.77) PTGER4PTGER2MAPK8KMT2ALMNA
SCHEMBL4450937 0.85 PTGER4 (1.00) PTGER4PTGER2MAPK8KMT2ACYP1A2
SCHEMBL4085505 0.85 PTGER4 (0.77) PTGER4PTGER2MAPK8LMNAMAPT
SCHEMBL13954366 0.84 PTGER4 (0.76) PTGER4PTGER2MAPK8KMT2AMAPT
SCHEMBL4450413 0.83 PTGER4 (0.81) PTGER4PTGER2KMT2AMAPTLIPG
SCHEMBL4081701 0.83 MAPK8 (0.64) PTGER4PTGER2MAPK8KMT2ALMNA
SCHEMBL4455024 0.83 PTGER4 (0.74) PTGER4PTGER2LIPG

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 17 patents. 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-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
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
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 1002/4885MAPK8 4158/4885
US-20030195233-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C PTGER4 49/4885PTGER2 710/4885MAPK8 1524/4885
US-20030191158-A1 Antiinflamamtory agents; antiallergens NNMT, IL5, HNMT PTGER4 290/4885PTGER2 775/4885MAPK8 4288/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 PTGER4 76/4885PTGER2 38/4885MAPK8 88/4885
US-20050043343-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor PDE3A, PDE4B, PDE12 PTGER4 230/4885PTGER2 965/4885MAPK8 3666/4885
US-20050154006-A1 Pharmaceutical compositions based on a scopineester and nicotinamide derivatives NAMPT, NNT, XDH PTGER4 1543/4885PTGER2 2722/4885MAPK8 2628/4885

“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.