SCHEMBL2536653

SCHEMBL2536653

Cc1cc(C)cc(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.48
PTGER4 P35408 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
TUBB1 Q9H4B7 1/20 0.42
SCN10A Q9Y5Y9 7/20 0.41
GRIN2B Q13224 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCHR1 Q99705 1/20 0.39
ERN1 O75460 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
KIF11 P52732 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
SCHEMBL2541003 0.91 PPARD (0.46) PPARDPTGER4ALDH1A1MAPTTUBB1
SCHEMBL2533876 0.90 MAOB (0.46) PPARDPTGER4ALDH1A1MAPTKDM4E
SCHEMBL2536145 0.89 PPARD (0.45) PPARDPTGER4ALDH1A1MAPTTUBB1
SCHEMBL2537042 0.86 ERN1 (0.46) PPARDALDH1A1MAPTTUBB1KDM4E
SCHEMBL2540500 0.86 PPARD (0.52) PPARDPTGER4SCN10AMRGPRX4
SCHEMBL2540502 0.86 PPARD (0.52) PPARDPTGER4SCN10AMRGPRX4
SCHEMBL2534584 0.86 ERN1 (0.50) PPARDALDH1A1MAPTKDM4EMEN1
SCHEMBL2541527 0.85 ALDH1A1 (0.51) PPARDALDH1A1MAPTKDM4EMEN1
SCHEMBL2539621 0.85 KDM4E (0.49) PPARDALDH1A1MAPTKDM4EMEN1
SCHEMBL2532662 0.84 PSEN1 (0.44) PPARDALDH1A1MAPTKDM4EMEN1

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-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
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
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 PPARD 3616/4885PTGER4 1401/4885ALDH1A1 1168/4885
US-20080275116-A1 Carboxilic acid derivatives SERPINE1, CTRL, SERPINC1 PPARD 1640/4885PTGER4 3046/4885ALDH1A1 375/4885

“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.