SCHEMBL4282355

SCHEMBL4282355

N#COCCCCN1C(=O)CC[C@@H]1C(O)=CCC(F)(F)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 11/20 0.37
PTGER3 P43115 6/20 0.37
USP2 O75604 1/20 0.35
PTGER2 P43116 5/20 0.35
P2RX7 Q99572 4/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4293753 0.81 PTGER4 (0.38) PTGER4PTGER3USP2PTGER2P2RX7
SCHEMBL3675753 0.76 PTGER4 (0.35) PTGER4PTGER3USP2PTGER2P2RX7
SCHEMBL3682613 0.76 PTGER4 (0.37) PTGER4PTGER3USP2PTGER2TSHR
SCHEMBL3676019 0.74 PTGER4 (0.38) PTGER4PTGER3PTGER2
SCHEMBL3680513 0.74 GAA (0.38) PTGER4PTGER3USP2TSHRALOX15
SCHEMBL4288018 0.74 PTGER4 (0.58) PTGER4PTGER3PTGER2
SCHEMBL4282353 0.74 PTGER4 (0.58) PTGER4PTGER3PTGER2
SCHEMBL4288000 0.74 PTGER4 (0.58) PTGER4PTGER3PTGER2
SCHEMBL6703921 0.69 PTGER4 (0.49) PTGER4PTGER3PTGER2P2RX7KMT2A
SCHEMBL6791024 0.63 P2RX7 (0.41) PTGER4PTGER3PTGER2P2RX7

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
US-20090258918-A1 EP4 receptor agonist, compositions and methods thereof BILLOT XAVIER 2009-10-15 US claimed
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 claimed
US-20130317013-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF BILLOT XAVIER (CA) 2013-11-28 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 PTGER4 2/4885PTGER3 4/4885USP2 3873/4885
US-20090258918-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 PTGER4 1/4885PTGER3 3/4885USP2 3777/4885
US-20130317013-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF PTGER4, PTGER1, PTGER3 PTGER4 1/4885PTGER3 3/4885USP2 3777/4885

“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.