SCHEMBL3683069

SCHEMBL3683069

COC(=O)CC1C=CC=CC1(F)F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
EGFR P00533 1/20 0.31
GAA P10253 2/20 0.31
HTT P42858 2/20 0.31
HSD17B10 Q99714 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1H2 P55055 1/20 0.30

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
SCHEMBL22733786 0.81 TSHR (0.37) TSHREGFRGAAHTTHSD17B10
SCHEMBL4760587 0.80
SCHEMBL11507777 0.79 TSHR (0.35) TSHREGFRGAAHTTHSD17B10
SCHEMBL10666482 0.77
SCHEMBL4761755 0.76
SCHEMBL5379373 0.72 EPHX2 (0.35) GAALMNAKMT2A
SCHEMBL1083543 0.69 TSHR (0.42) TSHREGFRGAAHTTHSD17B10
SCHEMBL28575878 0.68 PTGS2 (0.34) ALDH1A1MAPTKMT2A
SCHEMBL5026898 0.65
SCHEMBL6620859 0.65 TSHR (0.35) TSHRHTTHSD17B10ALDH1A1LMNA

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 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
EP-1513589-A1 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 INC. (CA) 2005-03-16 EP disclosed
WO-2003103772-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 & CO. (CA) 2003-12-18 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 (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 TSHR 402/4885EGFR 1810/4885GAA 4688/4885
US-20090258918-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 TSHR 402/4885EGFR 572/4885GAA 4827/4885
US-20130317013-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF PTGER4, PTGER1, PTGER3 TSHR 402/4885EGFR 572/4885GAA 4827/4885

“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.