SCHEMBL533575

SCHEMBL533575

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc(C(Cc2ccc(-n3cccn3)cc2)NS(=O)(=O)c2ccccn2)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 6/20 0.34
PTGER4 P35408 1/20 0.34
GCGR P47871 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
USP1 O94782 1/20 0.31
PTPRB P23467 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
F2 P00734 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
SCHEMBL535045 0.88 PTGER2 (0.40) PTGER2PTPRB
SCHEMBL12981024 0.88 PTGER2 (0.44) PTGER2PTPRBMAPTF2
SCHEMBL17472675 0.88 PTGER2 (0.36) PTGER2PTPRBMAPTMEN1PKM
SCHEMBL533682 0.88 PTGER2 (0.36) PTGER2PTPRBMAPTMEN1PKM
SCHEMBL13571659 0.88 PTGER2 (0.36) PTGER2PTPRBMAPTMEN1PKM
SCHEMBL533502 0.88 PTGER2 (0.33) PTGER2PTGER4GCGRGPR119USP1
SCHEMBL3460027 0.88 PTGER2 (0.45) PTGER2PTGER4GCGRGPR119
SCHEMBL10316589 0.87 PTPRB (0.36) PTGER2PTPRBMAPTPKMF2
SCHEMBL12981384 0.87 PTGER2 (0.35) PTGER2PTPRBMAPTMEN1PKM
SCHEMBL12982845 0.85 PTGER2 (0.38) PTGER2PTPRBMAPTMEN1PKM

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 1/4885PTGER4 17/4885GCGR 1262/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PTGER2 1/4885PTGER4 17/4885GCGR 987/4885

“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.