SCHEMBL535061

SCHEMBL535061

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc(C(Cc2ccc(-c3ccnnc3)cc2)NS(=O)(=O)c2cccnc2)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 15/20 0.44
WNT3A P56704 1/20 0.34
ADAMTS4 O75173 1/20 0.33
F2 P00734 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 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
SCHEMBL533647 0.94 PTGER2 (0.41) PTGER2ADAMTS4F2
SCHEMBL3458781 0.91 PTGER2 (0.42) PTGER2ADAMTS4F2
SCHEMBL3460024 0.91 PTGER2 (0.42) PTGER2
SCHEMBL3459165 0.89 PTGER2 (0.38) PTGER2F2SLC1A3SLC1A2SLC1A1
SCHEMBL12983336 0.88 PTGER2 (0.41) PTGER2F2SLC1A3SLC1A2SLC1A1
SCHEMBL10316898 0.88 PTGER2 (0.38) PTGER2F2SLC1A3SLC1A2SLC1A1
SCHEMBL533809 0.88 PTGER2 (0.44) PTGER2ADAMTS4F2
SCHEMBL15361809 0.88 PTGER2 (0.37) PTGER2F2KEAP1NFE2L2SLC1A3
SCHEMBL534195 0.88 PTGER2 (0.41) PTGER2WNT3AADAMTS4SLC1A3SLC1A2
SCHEMBL12981049 0.87 PTGER2 (0.37) PTGER2F2KEAP1NFE2L2SLC1A3

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 1/4885WNT3A 4312/4885ADAMTS4 3632/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PTGER2 1/4885WNT3A 4104/4885ADAMTS4 3687/4885

“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.