SCHEMBL534121

SCHEMBL534121

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc(/C=N\O)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 1/20 0.32
F2 P00734 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL534122 1.00 GSTO1 (0.34) GSTO1HDAC1HDAC8HDAC6MCL1
SCHEMBL533883 0.87 GSTO1 (0.38) GSTO1HDAC1HDAC8HDAC6MCL1
SCHEMBL533622 0.80 GRM5 (0.36) GSTO1MCL1F2
SCHEMBL534621 0.78 GSTO1 (0.34) GSTO1HDAC1HDAC8HDAC6MCL1
SCHEMBL10316776 0.78 KDM4E (0.32) KDM4ENPC1RAB9A
SCHEMBL10316777 0.78 KDM4E (0.32) KDM4ENPC1RAB9A
SCHEMBL534180 0.77 KDM4E (0.30) KDM4E
SCHEMBL534179 0.77 KDM4E (0.30) KDM4E
SCHEMBL534536 0.77 NR1H2 (0.34) GSTO1HDAC1HDAC8HDAC6MCL1
SCHEMBL534154 0.74 CYP1A2 (0.52) KDM4ENPC1RAB9A

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 17 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-20160213657-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PULMONARY DISEASE UBE INDUSTRIES, LTD. (JP) 2016-07-28 US disclosed
EP-3042656-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PULMONARY DISEASE UBE Industries, Ltd. (JP) 2016-07-13 EP 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-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US disclosed
US-20120184747-A1 ANILINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-07-19 US disclosed
EP-2476678-A1 SUBSTITUTED CARBONYL COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP 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 (7 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 GSTO1 2310/4885HDAC1 785/4885HDAC8 1243/4885
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND PTGER2, PTGER1, LTB4R2 GSTO1 1723/4885HDAC1 994/4885HDAC8 1664/4885
US-20160060221-A1 SUBSTITUTED BIARYL COMPOUND FIBP, FGF2, FGFR2 GSTO1 1279/4885HDAC1 74/4885HDAC8 652/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 GSTO1 2621/4885HDAC1 1052/4885HDAC8 2222/4885
US-20160213657-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PULMONARY DISEASE CFTR, ADRB3, ADRB2 GSTO1 517/4885HDAC1 252/4885HDAC8 791/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 GSTO1 2686/4885HDAC1 1320/4885HDAC8 2197/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR GSTO1 3640/4885HDAC1 2557/4885HDAC8 3651/4885

“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.