SCHEMBL3458629

SCHEMBL3458629

CC(C)(C)OC(=O)N(CC(=O)O)c1ccc(Br)c(C(Cc2ccc(-c3ccccc3)nn2)NS(=O)(=O)c2cccnc2)n1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.31
PTGER2 P43116 7/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
ADAM17 P78536 1/20 0.30
USP2 O75604 1/20 0.30
USP8 P40818 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
SCHEMBL3459567 0.88 PTGER2 (0.35) F2PTGER2SLC1A3SLC1A2SLC1A1
SCHEMBL6516015 0.88 PTGER2 (0.31) PTGER2SLC1A3SLC1A2SLC1A1
SCHEMBL533748 0.88 SLC1A3 (0.32) PTGER2SLC1A3SLC1A2SLC1A1ADAM17
SCHEMBL12983630 0.84 PTGER2 (0.42) PTGER2SLC1A3SLC1A2SLC1A1
SCHEMBL534421 0.83 SLC1A3 (0.31) SLC1A3SLC1A2SLC1A1ADAM17
SCHEMBL12982087 0.82 DAGLA (0.33) F2PTGER2SLC1A3SLC1A2SLC1A1
SCHEMBL3458631 0.81 PTGER2 (0.41) PTGER2
SCHEMBL6516006 0.80 PTGER2 (0.32) PTGER2SLC1A3SLC1A2SLC1A1ADAM17
SCHEMBL3458643 0.80 PTGER2 (0.32) PTGER2
SCHEMBL534420 0.78 ADAM17 (0.37) SLC1A3SLC1A2SLC1A1ADAM17USP2

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 4 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
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 F2 406/4885PTGER2 1/4885SLC1A3 450/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 F2 576/4885PTGER2 1/4885SLC1A3 468/4885

“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.