SCHEMBL534340

SCHEMBL534340

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc(C(N)(Cc2ccc(-c3cscn3)cc2)S(=O)(=O)c2ccccn2)n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 12/20 0.33
SCN8A Q9UQD0 1/20 0.33
F2 P00734 2/20 0.32
GSTO1 P78417 1/20 0.32
KAT6A Q92794 1/20 0.31
ALOX5AP P20292 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT1 Q99873 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL533415 0.90 PTGER2 (0.34) PTGER2F2KDM4EALDH1A1
SCHEMBL13571621 0.89 PTGER2 (0.35) PTGER2F2KDM4EALDH1A1
SCHEMBL12981021 0.87 PTGER2 (0.43) PTGER2F2ALDH1A1
SCHEMBL17472671 0.87 PTGER2 (0.34) PTGER2F2KDM4EALDH1A1
SCHEMBL17472666 0.87 PTGER2 (0.47) PTGER2F2
SCHEMBL534189 0.87 ALOX5AP (0.35) PTGER2F2KAT6AALOX5AP
SCHEMBL17472592 0.87 PTGER2 (0.40) PTGER2F2
SCHEMBL534349 0.87 KAT6A (0.32) PTGER2SCN8AKAT6AALOX5APCARM1
SCHEMBL17472591 0.86 PTGER2 (0.44) PTGER2F2
SCHEMBL10316584 0.86 F2 (0.38) PTGER2F2KDM4EALDH1A1

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 1/4885SCN8A 3124/4885F2 406/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PTGER2 1/4885SCN8A 3018/4885F2 576/4885

“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.