SCHEMBL4015674

SCHEMBL4015674

COC(=O)c1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.49
PTGER2 P43116 4/20 0.46
PTGER1 P34995 4/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2A1 P68400 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 3/20 0.41
INPPL1 O15357 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL693758 0.92 PTGER4 (0.58) PTGER4PTGER2PTGER1CSNK2A2CSNK2A1
SCHEMBL4014588 0.88 PTGER4 (0.52) PTGER4PTGER2PTGER1MEN1KMT2A
SCHEMBL4013928 0.86 PTGER4 (0.52) PTGER4PTGER2PTGER1MEN1KMT2A
SCHEMBL4016477 0.83 PTGER4 (0.54) PTGER4PTGER2PTGER1MEN1KMT2A
SCHEMBL4019942 0.82 PTGER4 (0.53) PTGER4PTGER2PTGER1MEN1KMT2A
SCHEMBL4012504 0.82 PTGER4 (0.58) PTGER4PTGER2PTGER1
SCHEMBL4012473 0.81 PTGER4 (0.57) PTGER4PTGER2PTGER1MEN1KMT2A
SCHEMBL3977110 0.81 PTGER4 (0.55) PTGER4PTGER2PTGER1MEN1KMT2A
SCHEMBL4012493 0.80 PTGER4 (0.56) PTGER4PTGER2PTGER1MEN1KMT2A
SCHEMBL4014065 0.80 PTGER4 (0.56) PTGER4PTGER2PTGER1MEN1KMT2A

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 6/4885PTGER1 2/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 PTGER4 1/4885PTGER2 2/4885PTGER1 5/4885

“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.