SCHEMBL3675928

SCHEMBL3675928

O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)C(F)(F)c1cccc(C(F)(F)F)c1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 18/20 0.81
PTGER2 P43116 8/20 0.81
PTGER3 P43115 9/20 0.77
PTGER1 P34995 2/20 0.58

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
SCHEMBL3675931 1.00 PTGER4 (0.81) PTGER4PTGER2PTGER3PTGER1
SCHEMBL3671879 0.92 PTGER4 (0.79) PTGER4PTGER2PTGER3PTGER1
SCHEMBL3671882 0.92 PTGER4 (0.79) PTGER4PTGER2PTGER3PTGER1
SCHEMBL3674265 0.91 PTGER4 (0.70) PTGER4PTGER2PTGER3PTGER1
SCHEMBL3674263 0.91 PTGER4 (0.70) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5733264 0.89 PTGER4 (1.00) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5733262 0.89 PTGER4 (1.00) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5733270 0.89 PTGER4 (1.00) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5733260 0.89 PTGER4 (1.00) PTGER4PTGER2PTGER3PTGER1
SCHEMBL3677597 0.88 PTGER4 (0.64) PTGER4PTGER2PTGER3PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317013-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF BILLOT XAVIER (CA) 2013-11-28 US claimed
EP-1513589-B1 1,5-DISUBSTITUTED PYRROLID-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TREATMENT OF EYE DISEASES SUCH AS GLAUCOMA MERCK FROSST CANADA LTD (CA) 2010-11-10 EP claimed
US-20090258918-A1 EP4 receptor agonist, compositions and methods thereof BILLOT XAVIER 2009-10-15 US claimed
US-20130317013-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF BILLOT XAVIER (CA) 2013-11-28 US disclosed
EP-1513589-B1 1,5-DISUBSTITUTED PYRROLID-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TREATMENT OF EYE DISEASES SUCH AS GLAUCOMA MERCK FROSST CANADA LTD (CA) 2010-11-10 EP disclosed
US-20090258918-A1 EP4 receptor agonist, compositions and methods thereof BILLOT XAVIER 2009-10-15 US 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-20090258918-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 PTGER4 1/4885PTGER2 4/4885PTGER3 3/4885
US-20130317013-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF PTGER4, PTGER1, PTGER3 PTGER4 1/4885PTGER2 4/4885PTGER3 3/4885

“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.