SCHEMBL3679333

SCHEMBL3679333

CC(C)(C)[Si](C)(C)OC[C@H]1CCC(=O)N1CCCCCl

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.34
PTGER4 P35408 3/20 0.33
PTGER3 P43115 3/20 0.33
PTGER2 P43116 3/20 0.33
DUT P33316 2/20 0.32

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
SCHEMBL3675530 0.83 PTGER4 (0.35) PDK2PTGER4PTGER3PTGER2
SCHEMBL1401084 0.83 PDK2 (0.41) PDK2PTGER4PTGER3PTGER2DUT
SCHEMBL28526467 0.83 DUT (0.33) PDK2DUT
SCHEMBL21389332 0.83 DUT (0.33) PDK2DUT
SCHEMBL24795959 0.83 PDK2 (0.41) PDK2PTGER4PTGER3PTGER2DUT
SCHEMBL24795965 0.83 DUT (0.33) PDK2DUT
SCHEMBL2850230 0.83 DUT (0.33) PDK2DUT
SCHEMBL15496410 0.81 GAA (0.32) PDK2
SCHEMBL1576228 0.80 DUT (0.34) DUT
SCHEMBL6436398 0.80 PTGER3 (0.32) PTGER3PTGER2

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 5 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 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
US-20050239872-A1 1,5-distributed pyrrolid-2-one derivatives for use as ep4 receptor agonists in the teatment of eye diseases such as glaucoma MERCK FROSST CANADA LTD. (CA) 2005-10-27 US disclosed
US-20040204590-A1 Ep4 receptor agonist, compositions and methods thereof MERCK FROSST CANADA LTD. (CA) 2004-10-14 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 (4 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-20050239872-A1 1,5-distributed pyrrolid-2-one derivatives for use as ep4 receptor agonists in the teatment of eye diseases such as glaucoma PTGER1, PTGER4, PTGER2 PDK2 668/4885PTGER4 2/4885PTGER3 4/4885
US-20040204590-A1 Ep4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 PDK2 4029/4885PTGER4 1/4885PTGER3 3/4885
US-20090258918-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 PDK2 4091/4885PTGER4 1/4885PTGER3 3/4885
US-20130317013-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF PTGER4, PTGER1, PTGER3 PDK2 4091/4885PTGER4 1/4885PTGER3 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.