SCHEMBL4014045

SCHEMBL4014045

COC(=O)c1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.61
PTGER2 P43116 3/20 0.61
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
PTGER1 P34995 4/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
INPPL1 O15357 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
LRRK2 Q5S007 1/20 0.46
PPARG P37231 1/20 0.46
RAB9A P51151 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL4019942 0.94 PTGER4 (0.53) PTGER4PTGER2ALDH1A1PTGER1MEN1
SCHEMBL4015739 0.92 PTGER4 (0.56) PTGER4PTGER2ALDH1A1LMNAPTGER1
SCHEMBL4017992 0.91 PTGER4 (0.60) PTGER4PTGER2ALDH1A1LMNAMEN1
SCHEMBL4014779 0.91 PTGER4 (0.53) PTGER4PTGER2ALDH1A1LMNAPTGER1
SCHEMBL691910 0.91 PTGER4 (0.74) PTGER4PTGER2PTGER1
SCHEMBL4174040 0.91 PTGER4 (0.74) PTGER4PTGER2PTGER1
SCHEMBL4018173 0.90 PTGER4 (0.61) PTGER4PTGER2LMNAPTGER1MEN1
SCHEMBL4012473 0.89 PTGER4 (0.57) PTGER4PTGER2ALDH1A1LMNAPTGER1
SCHEMBL4012493 0.88 PTGER4 (0.56) PTGER4PTGER2ALDH1A1PTGER1MEN1
SCHEMBL4014065 0.88 PTGER4 (0.56) PTGER4PTGER2ALDH1A1LMNAPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756043-B1 ORTHO SUBSTITUTED ARYL OR HETEROARYL AMIDE COMPOUNDS RAQUALIA PHARMA INC (JP) 2009-07-01 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
EP-1756043-A1 ORTHO SUBSTITUTED ARYL OR HETEROARYL AMIDE COMPOUNDS Pfizer, Inc. (US) 2007-02-28 EP disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
US-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds PFIZER INC 2005-11-10 US disclosed
WO-2005105733-A1 ORTHO SUBSTITUTED ARYL OR HETEROARYL AMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2005-11-10 WO disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 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-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds OPRL1, PTGER1, OPRM1 PTGER4 19/4885PTGER2 6/4885ALDH1A1 1061/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 PTGER4 1/4885PTGER2 2/4885ALDH1A1 1861/4885

“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.