SCHEMBL2532662

SCHEMBL2532662

CC(C)(C)c1ccc(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.44
ALOX5 P09917 2/20 0.44
SERPINE1 P05121 1/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
PPARD Q03181 3/20 0.43
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
APP P05067 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
NR4A2 P43354 1/20 0.40
ERN1 O75460 1/20 0.40
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL2536145 0.92 PPARD (0.45) PSEN1ALOX5PPARDPTPN1ALDH1A1
SCHEMBL13580769 0.91 SERPINE1 (0.44) PSEN1ALOX5SERPINE1EPHX2NR1H4
SCHEMBL2537379 0.91 PTPN1 (0.52) PSEN1ALOX5PPARDPTPN1PPARG
SCHEMBL13581070 0.91 PSEN1 (0.48) PSEN1ALOX5EPHX2NR1H4PPARD
SCHEMBL13580794 0.89 PSEN1 (0.47) PSEN1ALOX5EPHX2NR1H4APP
SCHEMBL2541003 0.89 PPARD (0.46) PSEN1ALOX5PPARDPTPN1ALDH1A1
SCHEMBL2537042 0.89 ERN1 (0.46) PSEN1ALOX5PPARDALDH1A1MAPT
SCHEMBL2539621 0.87 KDM4E (0.49) PSEN1ALOX5PPARDPTPN1ALDH1A1
SCHEMBL2541527 0.87 ALDH1A1 (0.51) PSEN1ALOX5PPARDPTPN1ALDH1A1
SCHEMBL2537480 0.86 PTPN1 (0.52) PSEN1ALOX5PPARDPTPN1ALDH1A1

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 8 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
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 PSEN1 3454/4885ALOX5 1470/4885SERPINE1 2/4885
US-20080275116-A1 Carboxilic acid derivatives SERPINE1, CTRL, SERPINC1 PSEN1 3940/4885ALOX5 1431/4885SERPINE1 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.