SCHEMBL534309

SCHEMBL534309

COc1ccc2cc(CN(Cc3cccc(N(CC(=O)O)C(=O)OC(C)(C)C)n3)S(=O)(=O)c3cccnc3)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 18/20 0.54
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41

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
SCHEMBL534361 0.91 PTGER2 (0.54) PTGER2
SCHEMBL533552 0.91 PTGER2 (0.65) PTGER2
SCHEMBL533373 0.88 PTGER2 (0.51) PTGER2
SCHEMBL534308 0.84 KEAP1 (0.39) PTGER2KEAP1NFE2L2
Hydrochloric Acid SCHEMBL533846 0.82 PTGER2 (0.78) PTGER2
SCHEMBL533664 0.82 PTGER2 (0.78) PTGER2
SCHEMBL534310 0.81 KEAP1 (0.36) PTGER2KEAP1NFE2L2
SCHEMBL17451457 0.81 PTGER2 (0.57) PTGER2KEAP1NFE2L2
SCHEMBL12981123 0.80 PTGER2 (0.49) PTGER2
SCHEMBL533450 0.80 PTGER2 (0.66) PTGER2

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 1/4885KEAP1 1064/4885NFE2L2 620/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PTGER2 1/4885KEAP1 1210/4885NFE2L2 625/4885

“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.