SCHEMBL2534855

SCHEMBL2534855

CCOC(=O)CCc1cc(-c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1OC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
VNN1 O95497 1/20 0.40
GPR34 Q9UPC5 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
EPHX2 P34913 2/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 0.36
FFAR1 O14842 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL2538185 0.89 NPSR1 (0.49) VNN1FFAR4NPSR1FFAR1
SCHEMBL2535462 0.85 GPR34 (0.45) VNN1GPR34MRGPRX4FFAR4PPARD
SCHEMBL2537564 0.83 PSEN1 (0.47) FFAR4PPARDPPARAFFAR1
SCHEMBL2531097 0.79 RXRA (0.44) MRGPRX4FFAR4
SCHEMBL7398013 0.78 CYP4F2 (0.60) CYP4F2CYP4A11VNN1EPHX2PPARG
SCHEMBL2534893 0.78 PPARD (0.43) CYP4F2CYP4A11GPR34PPARDPPARA
SCHEMBL2537078 0.76 MRGPRX4 (0.53) MRGPRX4PPARDPPARA
SCHEMBL13581139 0.76 POLB (0.38) EPHX2PPARD
SCHEMBL2538767 0.76 PTGER4 (0.54) CYP4F2CYP4A11MRGPRX4FFAR4ESR1
SCHEMBL12952693 0.76 ESR1 (0.49) FFAR4PPARGPPARDPPARAFFAR1

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 CYP4F2 2457/4885CYP4A11 1538/4885VNN1 2513/4885
US-20080275116-A1 Carboxilic acid derivatives SERPINE1, CTRL, SERPINC1 CYP4F2 1876/4885CYP4A11 1304/4885VNN1 1206/4885

“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.