SCHEMBL1242357

SCHEMBL1242357

COC(=O)C(=O)N(Cc1ccc(C(C)(C)C)cc1)c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.42
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
RAB9A P51151 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ESRRG P62508 1/20 0.38
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC3 O15379 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
EPHX2 P34913 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1242344 0.90 ALDH1A1 (0.44) NR1H4PTGESALOX5RAB9AMEN1
SCHEMBL28995151 0.84 NR1H4 (0.43) NR1H4PTGESALOX5RAB9AMEN1
SCHEMBL1241456 0.80 CCR9 (0.39) NR1H4PTGESALOX5RAB9AMEN1
SCHEMBL1242181 0.80 CCR9 (0.39) NR1H4PTGESALOX5RAB9AMEN1
SCHEMBL1241365 0.80 NR1H4 (0.46) NR1H4PTGESALOX5RAB9AMEN1
SCHEMBL12953074 0.80 NR1H4 (0.46) NR1H4PTGESALOX5RAB9AMEN1
SCHEMBL1242294 0.79 WDR5 (0.40) MEN1KMT2ALMNAL3MBTL1SMN1; SMN2
SCHEMBL1239588 0.79 CCR9 (0.41) NR1H4PTGESALOX5RAB9AMEN1
SCHEMBL1239513 0.79 MMP9 (0.41) NR1H4PTGESALOX5RAB9AMEN1
SCHEMBL13581167 0.78 PTGES (0.64) NR1H4PTGESALOX5RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-7884234-B2 N-[4-(tert-butyl)benzyl]-N-[4 -(trifluoromethoxy)biphenyl-3-yl]oxamic Acid; Inhibitors of plasminogen activator inhibitor-1 (PAI-1); thrombogenesis, fibrogenesis, accumulation of visceral fat, cell proliferation, angiogenesis INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-02-08 US disclosed
US-7884234-B2 N-[4-(tert-butyl)benzyl]-N-[4 -(trifluoromethoxy)biphenyl-3-yl]oxamic Acid; Inhibitors of plasminogen activator inhibitor-1 (PAI-1); thrombogenesis, fibrogenesis, accumulation of visceral fat, cell proliferation, angiogenesis INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-02-08 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 US disclosed
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 US disclosed
EP-2072498-A1 N-PHENYLOXAMIDIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-06-24 EP disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 US disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 US 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-20080249175-A1 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 NR1H4 4184/4885PTGES 465/4885ALOX5 445/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 NR1H4 4184/4885PTGES 465/4885ALOX5 445/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 NR1H4 2901/4885PTGES 1132/4885ALOX5 1470/4885

“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.