SCHEMBL1239588

SCHEMBL1239588

COC(=O)C(=O)N(Cc1ccc(C(C)(C)C)cc1)c1ccc(Br)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.41
NR1H4 Q96RI1 4/20 0.38
ESRRB O95718 1/20 0.37
ESRRG P62508 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
BCL2A1 Q16548 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34

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
SCHEMBL1241456 0.88 CCR9 (0.39) CCR9NR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL1242181 0.85 CCR9 (0.39) CCR9NR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL1239528 0.85 CCR9 (0.38) CCR9NR1H4ESRRGMEN1KMT2A
SCHEMBL1242294 0.84 WDR5 (0.40) CCR9MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL1241447 0.83 PTPN1 (0.41) CCR9NR1H4HDAC8HDAC6
SCHEMBL12953074 0.81 NR1H4 (0.46) NR1H4MEN1KMT2AHDAC3HDAC8
SCHEMBL1241365 0.81 NR1H4 (0.46) NR1H4MEN1KMT2AHDAC3HDAC8
SCHEMBL1239714 0.81 ALDH1A1 (0.41) NR1H4ESRRBESRRGMEN1KMT2A
SCHEMBL1239513 0.80 MMP9 (0.41) NR1H4ESRRBESRRGMEN1KMT2A
SCHEMBL1242701 0.80 NR1H4 (0.45) NR1H4PTGESALOX5

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 CCR9 1743/4885NR1H4 4184/4885ESRRB 4741/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 CCR9 1743/4885NR1H4 4184/4885ESRRB 4741/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 CCR9 1792/4885NR1H4 2901/4885ESRRB 3262/4885

“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.