SCHEMBL533551

SCHEMBL533551

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc(C(Cc2cc3ccccc3s2)NS(=O)(=O)c2cccnc2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 8/20 0.44
F2 P00734 2/20 0.35
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
MMP13 P45452 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
ITGAV P06756 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
NAMPT P43490 1/20 0.32
USP2 O75604 1/20 0.32
USP8 P40818 1/20 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
SCHEMBL534362 0.92 PTGER2 (0.36) PTGER2F2ITGB3ITGA2BSLC1A3
SCHEMBL534310 0.91 KEAP1 (0.36) PTGER2F2ITGB3ITGA2BMMP13
SCHEMBL534227 0.88 PTGER2 (0.41) PTGER2F2ITGB3ITGA2BMMP13
SCHEMBL533449 0.86 PTGER2 (0.47) PTGER2F2MMP13
SCHEMBL533647 0.85 PTGER2 (0.41) PTGER2F2ITGB3ITGAV
SCHEMBL12981128 0.84 PTGER2 (0.32) PTGER2F2ITGB3ITGA2BMMP13
SCHEMBL15361809 0.83 PTGER2 (0.37) PTGER2F2SLC1A3SLC1A2SLC1A1
SCHEMBL12982670 0.83 PTGER2 (0.45) PTGER2F2ITGB3SLC1A3SLC1A2
SCHEMBL3459165 0.83 PTGER2 (0.38) PTGER2F2SLC1A3SLC1A2SLC1A1
SCHEMBL12983336 0.83 PTGER2 (0.41) PTGER2F2SLC1A3SLC1A2SLC1A1

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
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PTGER2 1/4885F2 406/4885ITGB3 2029/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PTGER2 1/4885F2 576/4885ITGB3 1919/4885

“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.