SCHEMBL533480

SCHEMBL533480

Cc1nc(-c2ccc(CC(N)(c3cccc(N(CC(=O)O)C(=O)OC(C)(C)C)n3)S(=O)(=O)c3ccccn3)cc2)sc1C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 13/20 0.32
F2 P00734 2/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
FFAR1 O14842 1/20 0.32
PAX8 Q06710 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL533324 0.90 ALOX5AP (0.33) PTGER2F2PAX8
SCHEMBL533415 0.90 PTGER2 (0.34) PTGER2F2
SCHEMBL13571621 0.89 PTGER2 (0.35) PTGER2F2
SCHEMBL534189 0.88 ALOX5AP (0.35) PTGER2F2FFAR1
SCHEMBL533585 0.88 PTGER2 (0.32) PTGER2F2
SCHEMBL17472591 0.88 PTGER2 (0.44) PTGER2F2
SCHEMBL17472671 0.87 PTGER2 (0.34) PTGER2F2
SCHEMBL12981021 0.87 PTGER2 (0.43) PTGER2F2
SCHEMBL17472592 0.87 PTGER2 (0.40) PTGER2F2
SCHEMBL12981727 0.87 PTGER2 (0.33) 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 1/4885F2 406/4885PPARD 317/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PTGER2 1/4885F2 576/4885PPARD 384/4885

“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.