SCHEMBL2533346

SCHEMBL2533346

COC(=O)/C=C\c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1Oc1ccc(C(=O)OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.44
NR1H4 Q96RI1 3/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
TDP1 Q9NUW8 1/20 0.40
TNFRSF1A P19438 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
ABL1 P00519 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
IDH1 O75874 1/20 0.38
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3863808 0.92 GAA (0.46) ERN1SLC6A2SLC6A4TNFRSF1AMRGPRX4
SCHEMBL3863802 0.92 GAA (0.46) ERN1SLC6A2SLC6A4TNFRSF1AMRGPRX4
SCHEMBL2535476 0.88 TRPV1 (0.44) NR1H4SLC6A2SLC6A4
SCHEMBL12225947 0.87 ERN1 (0.56) ERN1SLC6A2SLC6A4MRGPRX4ABL1
SCHEMBL2533347 0.82 ERN1 (0.43) ERN1SLC6A2SLC6A4MRGPRX4ABL1
SCHEMBL2536942 0.82 IP6K1 (0.49) SLC6A2SLC6A4AURKATPX2POLB
SCHEMBL2536938 0.82 IP6K1 (0.49) SLC6A2SLC6A4AURKATPX2POLB
SCHEMBL2532598 0.81 AURKA (0.48) SLC6A2SLC6A4AURKATPX2KMT2A
SCHEMBL2538639 0.81 AURKA (0.48) SLC6A2SLC6A4AURKATPX2KMT2A
SCHEMBL12952791 0.80 TRPV1 (0.44) NR1H4IDH1

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 12 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-8044236-B2 Inhibitors against plasminogen activator inhibitor-1 (PAI-1); anticoagulants; 2-(aryl or aralkyloxy-)-5-(aryl)phenyl}acetic acid (or derivatives of propionic acid, propenoic acid, N-oxamic acid or 1H-tetrazol-5-yl); occlusion, stenosis; low molecular weight; gene expression inhibition INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-10-25 US disclosed
US-8044236-B2 Inhibitors against plasminogen activator inhibitor-1 (PAI-1); anticoagulants; 2-(aryl or aralkyloxy-)-5-(aryl)phenyl}acetic acid (or derivatives of propionic acid, propenoic acid, N-oxamic acid or 1H-tetrazol-5-yl); occlusion, stenosis; low molecular weight; gene expression inhibition INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-10-25 US disclosed
US-8044236-B2 Inhibitors against plasminogen activator inhibitor-1 (PAI-1); anticoagulants; 2-(aryl or aralkyloxy-)-5-(aryl)phenyl}acetic acid (or derivatives of propionic acid, propenoic acid, N-oxamic acid or 1H-tetrazol-5-yl); occlusion, stenosis; low molecular weight; gene expression inhibition INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-10-25 US disclosed
EP-2272817-A1 PAI-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2011-01-12 EP disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
WO-2009125606-A1 PAI-1 INHIBITOR 株式会社医薬分子設計研究所 (JP) 2009-10-15 WO disclosed
EP-2080751-A1 CARBOXYLIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-07-22 EP disclosed
US-20080275116-A1 Carboxilic acid derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-11-06 US disclosed
US-20080275116-A1 Carboxilic acid derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-11-06 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 (2 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-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 ERN1 539/4885NR1H4 2901/4885SLC6A2 4833/4885
US-20080275116-A1 Carboxilic acid derivatives SERPINE1, CTRL, SERPINC1 ERN1 918/4885NR1H4 2697/4885SLC6A2 4662/4885

“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.