SCHEMBL533561

SCHEMBL533561

CC(C)(C)OC(=O)N(CC(=O)O)c1ccc(Br)c(CBr)n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.35
CSNK2A2 P19784 1/20 0.32
CSNK2A1 P68400 1/20 0.32
GSTO1 P78417 1/20 0.31
AKT1 P31749 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL533744 0.85 RAB9A (0.36) SSTR4CSNK2A2CSNK2A1GSTO1NPSR1
SCHEMBL13091520 0.84 SSTR4 (0.35) SSTR4
SCHEMBL533563 0.79 SSTR4 (0.34) SSTR4
SCHEMBL13571163 0.78 SSTR4 (0.35) SSTR4
SCHEMBL533787 0.78 SSTR4 (0.34) SSTR4NPSR1
SCHEMBL27803018 0.76 GSTO1 (0.37) SSTR4CSNK2A2CSNK2A1GSTO1
SCHEMBL23320977 0.76 GBA1 (0.41) SSTR4
SCHEMBL6353530 0.75 NCF1 (0.42) GSTO1NPSR1
SCHEMBL533622 0.74 GRM5 (0.36) CSNK2A2CSNK2A1GSTO1
SCHEMBL23089485 0.73 NPSR1 (0.43) SSTR4AKT1NPSR1

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 7 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-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 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 (3 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 SSTR4 1652/4885CSNK2A2 462/4885CSNK2A1 467/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 SSTR4 1453/4885CSNK2A2 396/4885CSNK2A1 424/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR SSTR4 3207/4885CSNK2A2 2659/4885CSNK2A1 2583/4885

“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.