SCHEMBL533809

SCHEMBL533809

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 12/20 0.44
PTPRB P23467 2/20 0.35
F2 P00734 2/20 0.35
BCL2 P10415 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
SLCO2B1 O94956 1/20 0.32
ABCB11 O95342 1/20 0.32
ABCB1 P08183 1/20 0.32
UGT1A1 P22309 1/20 0.32
CCKAR P32238 1/20 0.32
OPRK1 P41145 1/20 0.32
GHSR Q92847 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
SCN9A Q15858 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 0.93 PTGER2 (0.41) PTGER2PTPRBF2BCL2ADAMTS4
SCHEMBL3458781 0.89 PTGER2 (0.42) PTGER2F2ADAMTS4SCN9A
SCHEMBL3460024 0.89 PTGER2 (0.42) PTGER2
SCHEMBL15361809 0.89 PTGER2 (0.37) PTGER2PTPRBF2
SCHEMBL3459165 0.89 PTGER2 (0.38) PTGER2F2
SCHEMBL533698 0.88 PTGER2 (0.42) PTGER2PTPRBBCL2ADAMTS4MLNR
SCHEMBL535061 0.88 PTGER2 (0.44) PTGER2F2ADAMTS4
SCHEMBL12983336 0.88 PTGER2 (0.41) PTGER2F2
SCHEMBL10316898 0.88 PTGER2 (0.38) PTGER2PTPRBF2
SCHEMBL12981049 0.86 PTGER2 (0.37) 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 1/4885PTPRB 2129/4885F2 406/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PTGER2 1/4885PTPRB 2141/4885F2 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.