SCHEMBL4448828

SCHEMBL4448828

O=C(O)c1cc(C(F)(F)F)cnc1Oc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
PTGER4 P35408 8/20 0.52
LMNA P02545 2/20 0.47
LIPE Q05469 1/20 0.47
PTGER2 P43116 2/20 0.46
LIPG Q9Y5X9 1/20 0.46
FFAR1 O14842 1/20 0.45
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL31344059 0.88 SMN1; SMN2 (0.52) SMN1; SMN2LMNALIPEFFAR1MEN1
SCHEMBL23356251 0.88 SMN1; SMN2 (0.52) SMN1; SMN2LMNALIPEFFAR1MEN1
SCHEMBL4447327 0.86 KMT2A (0.55) SMN1; SMN2PTGER4LMNALIPEFFAR1
SCHEMBL4448799 0.84 PTGER4 (0.62) PTGER4PTGER2MEN1KMT2A
SCHEMBL23356296 0.83 SCN8A (0.43) MAPTKMT2A
SCHEMBL31344141 0.83 SCN8A (0.43) MAPTKMT2A
SCHEMBL29804378 0.82 SCN8A (0.46)
SCHEMBL23356395 0.82 SCN8A (0.46)
SCHEMBL23356426 0.81 SCN8A (0.47)
SCHEMBL31344164 0.81 SCN8A (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663979-B1 PHENYL OR PYRIDYL AMIDE COMPOUNDS AS PROSTAGLANDIN E2 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2013-10-09 EP disclosed
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 SMN1; SMN2 3422/4885PTGER4 13/4885LMNA 2913/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 SMN1; SMN2 2422/4885PTGER4 1/4885LMNA 3019/4885

“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.