SCHEMBL1239632

SCHEMBL1239632

COC(=O)C(=O)N(Cc1ccc(C(C)(C)C)cc1)c1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 2/20 0.39
NR1H4 Q96RI1 3/20 0.39
GCGR P47871 2/20 0.39
GIPR P48546 2/20 0.39
GLP1R P43220 1/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
XBP1 P17861 1/20 0.37
ESRRG P62508 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 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
SCHEMBL4006485 0.88 SERPINE1 (0.45) HDAC6HDAC11HDAC8NR1H4GCGR
SCHEMBL1242187 0.84 NOTUM (0.41) HDAC6HDAC11HDAC8NR1H4PTGES
SCHEMBL1242287 0.84 NR1H4 (0.41) HDAC6HDAC11HDAC8NR1H4GCGR
SCHEMBL12953074 0.82 NR1H4 (0.46) HDAC6HDAC11HDAC8NR1H4GCGR
SCHEMBL1241365 0.82 NR1H4 (0.46) HDAC6HDAC11HDAC8NR1H4GCGR
SCHEMBL1242692 0.81 PTGES (0.51) HDAC6HDAC11HDAC8NR1H4GCGR
SCHEMBL12890078 0.81 PTGES (0.51) HDAC6HDAC11HDAC8NR1H4GCGR
SCHEMBL1239528 0.81 CCR9 (0.38) HDAC6HDAC11HDAC8NR1H4GCGR
SCHEMBL1242592 0.81 SERPINE1 (0.48) NR1H4GCGRGIPRGLP1R
SCHEMBL1241404 0.79 PTGES (0.56) NR1H4GCGRGIPRGLP1RPTGES

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 HDAC6 526/4885HDAC11 124/4885HDAC8 485/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 HDAC6 526/4885HDAC11 124/4885HDAC8 485/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 HDAC6 3309/4885HDAC11 485/4885HDAC8 2850/4885

“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.