SCHEMBL4567678

SCHEMBL4567678

Cc1ccc(OC(CC(=O)O)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.59
PPARA Q07869 17/20 0.59
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8935844 0.84 SMN1; SMN2 (0.70) PPARGPPARASMN1; SMN2
SCHEMBL8935859 0.84 SMN1; SMN2 (0.70) PPARGPPARASMN1; SMN2
SCHEMBL1171344 0.84 SMN1; SMN2 (0.70) PPARGPPARASMN1; SMN2
SCHEMBL5512522 0.83 PPARG (0.57) PPARGPPARA
SCHEMBL11589516 0.82 PPARG (0.46) PPARGPPARA
SCHEMBL27875516 0.81 ALDH1A1 (0.55) PPARGPPARASMN1; SMN2L3MBTL1
SCHEMBL4257140 0.81 PPARG (0.65) PPARGPPARASMN1; SMN2
SCHEMBL6162499 0.81 PPARG (0.69) PPARGPPARA
SCHEMBL23606001 0.80 L3MBTL1 (0.49) PPARGPPARAL3MBTL1
SCHEMBL4187784 0.79 L3MBTL1 (0.47) PPARGPPARAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045414-B2 Pyrrolidin-2-ones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-02 US disclosed
US-9045414-B2 Pyrrolidin-2-ones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-02 US disclosed
EP-2346852-B1 PYRROLIDIN-2-ONES AS HDM2 LIGANDS BOEHRINGER INGELHEIM INT (DE) 2015-02-25 EP disclosed
US-20120122839-A1 NOVEL PYRROLIDIN-2-ONES PRIAXON AG (DE) 2012-05-17 US disclosed
US-20120122839-A1 NOVEL PYRROLIDIN-2-ONES PRIAXON AG (DE) 2012-05-17 US disclosed
US-8119623-B2 Pyrrolidin-2-ones PRIAXON AG (DE) 2012-02-21 US disclosed
US-8119623-B2 Pyrrolidin-2-ones PRIAXON AG (DE) 2012-02-21 US disclosed
US-20100075949-A1 NOVEL PYRROLIDIN-2-ONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
US-20100075949-A1 NOVEL PYRROLIDIN-2-ONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
WO-2010028862-A1 PYRROLIDIN-2-ONES AS HDM2 LIGANDS PRIAXON AG (DE) 2010-03-18 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 (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-20100075949-A1 NOVEL PYRROLIDIN-2-ONES ING2, HMGB2, API5 PPARG 1603/4885PPARA 1542/4885SMN1; SMN2 113/4885
US-20120122839-A1 NOVEL PYRROLIDIN-2-ONES ING2, HMGB2, API5 PPARG 1603/4885PPARA 1542/4885SMN1; SMN2 113/4885

“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.