SCHEMBL2540487

SCHEMBL2540487

CN(C(=O)C(=O)O)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccc(C(C)(C)C)cc1.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.47
PPARD Q03181 4/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
NR4A2 P43354 2/20 0.42
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
XDH P47989 2/20 0.40
RXRG P48443 1/20 0.40
PSEN1 P49768 2/20 0.40
PTGER4 P35408 1/20 0.40
ALOX5 P09917 1/20 0.40
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 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
SCHEMBL2537365 0.99 SERPINE1 (0.48) SERPINE1PPARDEPHX2NR1H4PPARG
SCHEMBL2540481 0.91 SERPINE1 (0.43) SERPINE1PPARDEPHX2NR1H4PPARG
SCHEMBL2532437 0.90 EPHX2 (0.44) SERPINE1PPARDEPHX2NR1H4PPARG
SCHEMBL1239090 0.85 SERPINE1 (0.57) SERPINE1PPARDEPHX2NR1H4PPARG
SCHEMBL2540994 0.80 SERPINE1 (0.48) SERPINE1PPARDEPHX2NR1H4PPARG
SCHEMBL1239779 0.80 SERPINE1 (0.48) SERPINE1PPARDEPHX2NR1H4PPARG
SCHEMBL2534864 0.80 SERPINE1 (0.52) SERPINE1PPARDEPHX2NR1H4PPARG
SCHEMBL2539640 0.79 PPARD (0.50) SERPINE1PPARDEPHX2NR1H4PPARG
SCHEMBL1241732 0.79 SERPINE1 (0.51) SERPINE1PPARDEPHX2NR1H4PPARG
SCHEMBL1241600 0.79 SERPINE1 (0.51) SERPINE1PPARDEPHX2NR1H4PPARA

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 SERPINE1 1/4885PPARD 1640/4885EPHX2 2193/4885

“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.