SCHEMBL2537480

SCHEMBL2537480

O=Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.52
SLC6A4 P31645 1/20 0.50
TACR2 P21452 1/20 0.44
PPARD Q03181 2/20 0.41
RHEB Q15382 1/20 0.41
GCGR P47871 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
CCR5 P51681 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMPD1 P17405 1/20 0.39
ERN1 O75460 2/20 0.39
ALOX5 P09917 1/20 0.39
PSEN1 P49768 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 0.94 PPARD (0.45) PTPN1SLC6A4PPARDRHEBGCGR
SCHEMBL17294040 0.90 SLC6A4 (0.57) PTPN1SLC6A4TACR2RHEBGCGR
SCHEMBL2539621 0.89 KDM4E (0.49) PTPN1SLC6A4PPARDGCGRMRGPRX4
SCHEMBL2541527 0.89 ALDH1A1 (0.51) PTPN1SLC6A4PPARDGCGRMRGPRX4
SCHEMBL2537042 0.88 ERN1 (0.46) SLC6A4PPARDCCR5ALDH1A1MAPT
SCHEMBL2541003 0.88 PPARD (0.46) PTPN1SLC6A4PPARDALDH1A1MAPT
SCHEMBL2537379 0.88 PTPN1 (0.52) PTPN1PPARDALOX5PSEN1
SCHEMBL2534584 0.88 ERN1 (0.50) PTPN1PPARDMRGPRX4ALDH1A1MAPT
SCHEMBL12952720 0.88 PTPN1 (0.41) PTPN1SLC6A4PPARDALDH1A1MAPT
SCHEMBL2532662 0.86 PSEN1 (0.44) PTPN1SLC6A4PPARDALDH1A1MAPT

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 13 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
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 PTPN1 1913/4885SLC6A4 4807/4885TACR2 3365/4885
US-20080275116-A1 Carboxilic acid derivatives SERPINE1, CTRL, SERPINC1 PTPN1 3808/4885SLC6A4 4560/4885TACR2 1115/4885

“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.