SCHEMBL4444906

SCHEMBL4444906

COC(=O)c1ccc(CNC(=O)c2cc(C#N)cnc2Oc2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.64
PTGER2 P43116 2/20 0.61
PDPK1 O15530 1/20 0.49
HPGD P15428 1/20 0.46
CYP3A4 P08684 1/20 0.45
MAPK14 Q16539 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
LIPG Q9Y5X9 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
SCHEMBL4447247 0.91 PTGER4 (0.78) PTGER4PTGER2PDPK1CYP3A4MAPK14
SCHEMBL8272698 0.89 PTGER4 (0.59) PTGER4PTGER2PDPK1HPGDMEN1
SCHEMBL4450413 0.88 PTGER4 (0.81) PTGER4PTGER2CYP3A4MAPK14MEN1
SCHEMBL4447261 0.86 PTGER4 (0.82) PTGER4PTGER2CYP3A4MAPK14
SCHEMBL4455024 0.84 PTGER4 (0.74) PTGER4PTGER2PDPK1CYP3A4MAPK14
SCHEMBL4446829 0.84 PTGER4 (0.65) PTGER4PTGER2CYP3A4MAPK14MEN1
SCHEMBL4457006 0.83 HPGD (0.60) PTGER4PTGER2HPGDCYP3A4MEN1
SCHEMBL4447268 0.82 PTGER4 (0.75) PTGER4PTGER2PDPK1
SCHEMBL8272401 0.82 PTGER4 (0.62) PTGER4PTGER2PDPK1CYP3A4MAPK14
SCHEMBL5765824 0.79 PTGER4 (0.66) PTGER4PTGER2MEN1KMT2ATHRB

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 9 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-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
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 11/4885PDPK1 2921/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 PTGER4 1/4885PTGER2 2/4885PDPK1 2090/4885

“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.