SCHEMBL4455024

SCHEMBL4455024

N#Cc1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.74
PTGER2 P43116 2/20 0.62
AKR1B1 P15121 1/20 0.48
VNN1 O95497 1/20 0.47
PDPK1 O15530 1/20 0.47
LIPG Q9Y5X9 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK14 Q16539 1/20 0.45
SCN9A Q15858 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
SCHEMBL4447268 0.91 PTGER4 (0.75) PTGER4PTGER2AKR1B1VNN1PDPK1
SCHEMBL8272401 0.91 PTGER4 (0.62) PTGER4PTGER2AKR1B1VNN1PDPK1
SCHEMBL7181929 0.87 PTGER4 (0.84) PTGER4PTGER2LIPGCYP3A4MAPK14
SCHEMBL4447247 0.86 PTGER4 (0.78) PTGER4PTGER2PDPK1CYP3A4MAPK14
SCHEMBL5373827 0.85 MAPK8 (0.64) PTGER4
SCHEMBL4085505 0.85 PTGER4 (0.77) PTGER4PTGER2LIPGCYP3A4MAPK14
Hydrochloric Acid SCHEMBL6908368 0.85 PTGER4 (0.77) PTGER4PTGER2LIPGCYP3A4MAPK14
SCHEMBL4450937 0.85 PTGER4 (1.00) PTGER4PTGER2CYP3A4MAPK14
SCHEMBL4444906 0.84 PTGER4 (0.64) PTGER4PTGER2PDPK1LIPGCYP3A4
SCHEMBL8272698 0.84 PTGER4 (0.59) PTGER4PTGER2PDPK1LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-7238714-B2 Aryl or heteroaryl amide compounds PFIZER JAPAN, INC. (JP) 2007-07-03 US disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
EP-1663979-A1 PHENYL OR PYRIDYL AMIDE COMPOUNDS AS PROSTAGLANDIN E2 ANTAGONISTS PFIZER INC. (US) 2006-06-07 EP disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed
US-20050065188-A1 Aryl or heteroaryl amide compounds ASKAT INC. (JP) 2005-03-24 US disclosed
WO-2005021508-A1 PHENYL OR PYRIDYL AMIDE COMPOUNDS AS PROSTAGLANDIN E2 ANTAGONISTS PFIZER INC. (US) 2005-03-10 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 (2 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-20050065188-A1 Aryl or heteroaryl amide compounds HRH2, PTGER1, LTB4R2 PTGER4 13/4885PTGER2 11/4885AKR1B1 489/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 PTGER4 1/4885PTGER2 2/4885AKR1B1 2346/4885

“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.