SCHEMBL2539640

SCHEMBL2539640

CC(C)(C)c1ccc(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2CC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.50
SERPINE1 P05121 1/20 0.48
PPARA Q07869 5/20 0.48
RXRA P19793 6/20 0.47
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
RXRB P28702 4/20 0.46
NR4A2 P43354 1/20 0.46
RXRG P48443 3/20 0.45
PTGER4 P35408 1/20 0.45
PPARG P37231 1/20 0.45

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
SCHEMBL2535066 0.90 FFAR4 (0.49) PPARDSERPINE1PPARARXRAEPHX2
SCHEMBL2536390 0.90 FFAR4 (0.49) PPARDSERPINE1PPARARXRAEPHX2
SCHEMBL2536903 0.88 PPARD (0.51) PPARDSERPINE1PPARARXRARXRB
SCHEMBL13580806 0.87 EPHX2 (0.47) PPARDSERPINE1PPARARXRAEPHX2
SCHEMBL2533880 0.85 PPARD (0.56) PPARDPPARARXRARXRBRXRG
SCHEMBL13580808 0.83 EPHX2 (0.45) PPARDSERPINE1PPARARXRAEPHX2
SCHEMBL13580799 0.82 EPHX2 (0.46) PPARDSERPINE1PPARARXRAEPHX2
SCHEMBL13581072 0.82 EPHX2 (0.50) PPARDSERPINE1PPARARXRAEPHX2
SCHEMBL2534864 0.82 SERPINE1 (0.52) PPARDSERPINE1PPARARXRAEPHX2
SCHEMBL2538764 0.81 FFAR1 (0.55) PPARDRXRGPTGER4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080275116-A1 Carboxilic acid derivatives SERPINE1, CTRL, SERPINC1 PPARD 1640/4885SERPINE1 1/4885PPARA 1174/4885

“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.