SCHEMBL533807

SCHEMBL533807

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc(C(N)(Cc2ccc(-c3ccccn3)cc2)S(=O)(=O)c2cccnc2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 11/20 0.45
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA5A P35218 4/20 0.34
CA9 Q16790 4/20 0.34
CA5B Q9Y2D0 4/20 0.34
F2 P00734 2/20 0.34
BRS3 P32247 2/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL3458709 0.92 PTGER2 (0.41) PTGER2F2
SCHEMBL3460019 0.89 PTGER2 (0.43) PTGER2
SCHEMBL3458776 0.89 PTGER2 (0.43) PTGER2
SCHEMBL533776 0.88 PTGER2 (0.37) PTGER2CA12CA1CA2CA9
SCHEMBL10317220 0.88 PTGER2 (0.39) PTGER2F2
SCHEMBL3459175 0.88 PTGER2 (0.40) PTGER2F2
SCHEMBL12981343 0.88 PTGER2 (0.49) PTGER2F2
SCHEMBL535059 0.87 PTGER2 (0.44) PTGER2
SCHEMBL533599 0.87 PTGER2 (0.42) PTGER2CA12CA1CA2CA5A
SCHEMBL13571345 0.86 PTGER2 (0.43) PTGER2F2

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 1/4885CA12 2475/4885CA1 2988/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PTGER2 1/4885CA12 2441/4885CA1 3053/4885

“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.