SCHEMBL2532437

SCHEMBL2532437

COC(=O)C(=O)N(C)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
SERPINE1 P05121 1/20 0.43
PPARD Q03181 4/20 0.42
CACNA1H O95180 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
NR4A2 P43354 1/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
XDH P47989 2/20 0.38
RXRG P48443 1/20 0.37
PTGER4 P35408 1/20 0.37
MMP12 P39900 1/20 0.37

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
SCHEMBL2537365 0.91 SERPINE1 (0.48) EPHX2NR1H4SERPINE1PPARDPPARG
SCHEMBL2540481 0.90 SERPINE1 (0.43) EPHX2NR1H4SERPINE1PPARDCACNA1H
SCHEMBL2540487 0.90 SERPINE1 (0.47) EPHX2NR1H4SERPINE1PPARDPPARG
SCHEMBL1239779 0.86 SERPINE1 (0.48) EPHX2NR1H4SERPINE1PPARDMRGPRX4
SCHEMBL2533885 0.82 EPHX2 (0.47) EPHX2NR1H4SERPINE1PPARDCACNA1H
SCHEMBL13581000 0.82 PPIB (0.44)
SCHEMBL13581072 0.81 EPHX2 (0.50) EPHX2NR1H4SERPINE1PPARDCACNA1H
SCHEMBL2540485 0.81 EPHX2 (0.46) EPHX2NR1H4SERPINE1PPARDCACNA1H
SCHEMBL1242896 0.80 NR1H4 (0.42) EPHX2NR1H4SERPINE1PPARDCACNA1H
SCHEMBL1241446 0.80 NR1H4 (0.42) EPHX2NR1H4SERPINE1PPARDCACNA1H

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 7 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-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US 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 EPHX2 1824/4885NR1H4 2901/4885SERPINE1 2/4885
US-20080275116-A1 Carboxilic acid derivatives SERPINE1, CTRL, SERPINC1 EPHX2 2193/4885NR1H4 2697/4885SERPINE1 1/4885

“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.