SCHEMBL533682

SCHEMBL533682

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 6/20 0.36
PTPRB P23467 3/20 0.34
F2 P00734 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
HPGD P15428 3/20 0.32
HTT P42858 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
XBP1 P17861 2/20 0.32
JAK2 O60674 1/20 0.32
S1PR4 O95977 1/20 0.32
HSP90AA1 P07900 1/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
PKM P14618 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 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
SCHEMBL535045 0.93 PTGER2 (0.40) PTGER2PTPRBCTSK
SCHEMBL17472675 0.92 PTGER2 (0.36) PTGER2PTPRBF2ALDH1A1LMNA
SCHEMBL12981024 0.92 PTGER2 (0.44) PTGER2PTPRBF2ALDH1A1HTT
SCHEMBL13571659 0.92 PTGER2 (0.36) PTGER2PTPRBF2ALDH1A1LMNA
SCHEMBL10316589 0.92 PTPRB (0.36) PTGER2PTPRBF2ALDH1A1LMNA
SCHEMBL12981384 0.92 PTGER2 (0.35) PTGER2PTPRBF2ALDH1A1LMNA
SCHEMBL12982845 0.90 PTGER2 (0.38) PTGER2PTPRBF2ALDH1A1LMNA
SCHEMBL12982769 0.90 PTGER2 (0.38) PTGER2PTPRBF2ALDH1A1LMNA
SCHEMBL12983247 0.89 PTGER2 (0.34) PTGER2PTPRBF2
SCHEMBL17472598 0.89 PTGER2 (0.41) PTGER2PTPRBMAOB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676720-B2 Substituted biaryl compound UBE INDUSTRIES, LTD. (JP) 2017-06-13 US disclosed
US-20160060221-A1 SUBSTITUTED BIARYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2016-03-03 US disclosed
EP-2980075-A1 SUBSTITUTED BIARYL COMPOUND UBE Industries, Ltd. (JP) 2016-02-03 EP disclosed
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-2476668-B1 ANILINE COMPOUNDS UBE INDUSTRIES (JP) 2013-11-06 EP 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
US-20120184747-A1 ANILINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-07-19 US disclosed
EP-2476668-A1 ANILINE COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP 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 (5 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-20120184747-A1 ANILINE COMPOUND PTGER2, ADRB2, PTGER1 PTGER2 1/4885PTPRB 4397/4885F2 3096/4885
US-20160060221-A1 SUBSTITUTED BIARYL COMPOUND FIBP, FGF2, FGFR2 PTGER2 2670/4885PTPRB 1348/4885F2 730/4885
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
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR PTGER2 59/4885PTPRB 3979/4885F2 2031/4885

“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.