SCHEMBL2537564

SCHEMBL2537564

CCOC(=O)CCc1cc(-c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.47
ALOX5 P09917 2/20 0.47
PPARD Q03181 7/20 0.47
PPARA Q07869 5/20 0.47
PTGER1 P34995 2/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
SYK P43405 1/20 0.42
FFAR4 Q5NUL3 3/20 0.41
FFAR1 O14842 1/20 0.41
FFAR2 O15552 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40

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
SCHEMBL2531097 0.90 RXRA (0.44) PTGER1PTPN1FFAR4RXRARXRB
SCHEMBL2534893 0.89 PPARD (0.43) PSEN1ALOX5PPARDPPARAPTGER1
SCHEMBL2539389 0.88 FFAR4 (0.51) PSEN1ALOX5PPARDPPARAPTGER1
SCHEMBL2533427 0.88 FFAR4 (0.51) PSEN1ALOX5PPARDPPARAPTGER1
SCHEMBL2537078 0.85 MRGPRX4 (0.53) PPARDPPARAPTGER1RXRARXRB
SCHEMBL2535462 0.84 GPR34 (0.45) PPARDSYKFFAR4
SCHEMBL13581062 0.83 MAPK1 (0.44) PTGER1RXRARXRBRXRG
SCHEMBL2534855 0.83 CYP4F2 (0.41) PPARDPPARAFFAR4FFAR1
SCHEMBL2536062 0.82 RXRA (0.53) PTGER1FFAR4FFAR1RXRARXRB
SCHEMBL13581071 0.82 SMN1; SMN2 (0.46) PTGER1RXRARXRBRXRG

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 PSEN1 3454/4885ALOX5 1470/4885PPARD 3616/4885
US-20080275116-A1 Carboxilic acid derivatives SERPINE1, CTRL, SERPINC1 PSEN1 3940/4885ALOX5 1431/4885PPARD 1640/4885

“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.