Sugi Predict

Sugi Predict / Compounds / SCHEMBL4013047

SCHEMBL4013047

SCHEMBL4013047

CC(C)OCCOc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 18/20 0.64
▸ PTGER2 P43116 6/20 0.63
▸ PHGDH O43175 1/20 0.48
▸ PTGDR Q13258 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4015417 0.91 PTGER4 (0.52) PTGER4PTGER2ALDH1A1
SCHEMBL692263 0.89 PTGER4 (0.71) PTGER4PTGER2PTGDR
SCHEMBL27667223 0.88 PTGER4 (0.65) PTGER4PTGER2PHGDHPTGDRALDH1A1
SCHEMBL691725 0.88 PTGER4 (0.65) PTGER4PTGER2PHGDHPTGDRALDH1A1
SCHEMBL4020929 0.88 PTGER4 (0.50) PTGER4PTGER2ALDH1A1
SCHEMBL27673405 0.88 PTGER4 (0.67) PTGER4PTGER2PHGDHPTGDRALDH1A1
SCHEMBL4014374 0.86 PTGER4 (0.79) PTGER4PTGER2
SCHEMBL4013897 0.86 PTGER4 (0.67) PTGER4PTGER2PHGDHPTGDRALDH1A1
SCHEMBL27653418 0.86 PTGER4 (0.67) PTGER4PTGER2PHGDHPTGDRALDH1A1
SCHEMBL2492541 0.84 PTGER4 (0.65) PTGER4PTGER2PTGDR

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
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
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-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 6/4885PHGDH 3322/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 PTGER4 1/4885PTGER2 2/4885PHGDH 2048/4885

“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.