SCHEMBL4130177

SCHEMBL4130177

O=C(O)C(CCc1ccccc1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.56
PPARA Q07869 10/20 0.56
SLC1A3 P43003 2/20 0.51
SLC1A2 P43004 2/20 0.51
SLC1A1 P43005 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
SRR Q9GZT4 2/20 0.47
HDAC2 Q92769 1/20 0.44

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
SCHEMBL6627832 1.00 PPARG (0.56) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL8669222 0.91 PPARG (0.49) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL7762661 0.91 PPARG (0.49) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL1859069 0.90 PPARG (0.58) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL3653035 0.86 SLC1A3 (0.49) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL3861924 0.84 PPARG (0.68) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL31290859 0.84 PPARA (0.63) PPARGPPARA
SCHEMBL29060162 0.83 SLC1A3 (0.46) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL7495011 0.83 PPARG (0.61) PPARGPPARAMEN1KMT2ASRR
SCHEMBL27709333 0.83 SLC1A3 (0.49) PPARGPPARASLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064193-A1 HETEROCYCLIC GPR40 MODULATORS Amgen, Inc (US) 2009-06-03 EP disclosed
WO-2008030520-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2008-03-13 WO disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
CN-1512983-A Compounds and compositions as cathepsins inhibitors AXYSҩ�﹫˾ 2004-07-14 CN disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE PPARG 1625/4885PPARA 2585/4885SLC1A3 3605/4885

“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.