SCHEMBL15033731

SCHEMBL15033731

CCOC(=O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(=O)C(F)(F)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 20/20 0.53
PTGER3 P43115 10/20 0.53
PTGER2 P43116 7/20 0.51
PTGER1 P34995 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
SCHEMBL18873442 0.93 PTGER4 (0.46) PTGER4PTGER3PTGER2PTGER1
SCHEMBL18867989 0.91 PTGER4 (0.44) PTGER4PTGER3PTGER2PTGER1
SCHEMBL6711641 0.90 PTGER4 (0.56) PTGER4PTGER3PTGER2PTGER1
SCHEMBL6711644 0.90 PTGER4 (0.56) PTGER4PTGER3PTGER2PTGER1
SCHEMBL20283770 0.86 PTGER4 (0.54) PTGER4PTGER3PTGER2PTGER1
SCHEMBL12065195 0.84 PTGER4 (0.65) PTGER4PTGER3PTGER2PTGER1
SCHEMBL20266236 0.84 PTGER4 (0.65) PTGER4PTGER3PTGER2PTGER1
SCHEMBL20266235 0.84 PTGER4 (0.65) PTGER4PTGER3PTGER2PTGER1
SCHEMBL2211076 0.83 PTGER4 (0.49) PTGER4PTGER3PTGER2PTGER1
SCHEMBL2211135 0.83 PTGER4 (0.49) PTGER4PTGER3PTGER2PTGER1

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
US-9611284-B2 Prostaglandin-bisphosphonate conjugate compounds, methods of making same, and uses thereof SIMON FRASER UNIVERSITY (CA) 2017-04-04 US disclosed
US-9611284-B2 Prostaglandin-bisphosphonate conjugate compounds, methods of making same, and uses thereof SIMON FRASER UNIVERSITY (CA) 2017-04-04 US disclosed
US-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2013-06-20 US disclosed
US-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2013-06-20 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 (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-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF PTGES, PTGFR, PTGIS PTGER4 14/4885PTGER3 15/4885PTGER2 10/4885

“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.