SCHEMBL4449078

SCHEMBL4449078

COC(=O)c1ccc(C(C)NC(=O)c2cc(Cl)cnc2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 17/20 0.58
PTGER2 P43116 4/20 0.55
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
PDE2A O00408 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45

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
SCHEMBL4019317 1.00 PTGER4 (0.58) PTGER4PTGER2ROCK2ROCK1PDE2A
SCHEMBL8271802 0.91 PTGER4 (0.59) PTGER4PTGER2TAS1R3TAS1R1
SCHEMBL4449311 0.89 PTGER4 (0.54) PTGER4PTGER2
SCHEMBL5357581 0.88 PTGER4 (0.56) PTGER4PTGER2ROCK2ROCK1PDE2A
SCHEMBL4532807 0.88 PTGER4 (0.69) PTGER4PTGER2
SCHEMBL27673367 0.87 PTGER4 (0.52) PTGER4PTGER2
SCHEMBL28761543 0.85 PTGER4 (0.53) PTGER4PTGER2
SCHEMBL5357542 0.84 PTGER4 (0.71) PTGER4PTGER2
SCHEMBL5364337 0.83 PTGER4 (0.75) PTGER4PTGER2PDE2A
SCHEMBL5357256 0.83 PTGER4 (0.69) PTGER4PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP 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 (1 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-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 PTGER4 1/4885PTGER2 2/4885ROCK2 1786/4885

“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.