SCHEMBL3864929

SCHEMBL3864929

COC(=O)[C@H](CSCc1ccc(NC(=O)Cn2ccc3ccccc32)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.50
PPARA Q07869 9/20 0.50
PPARD Q03181 2/20 0.48
MGLL Q99685 1/20 0.42
NTSR1 P30989 1/20 0.42

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
SCHEMBL3866470 0.92 PPARA (0.61) PPARGPPARAPPARDMGLLNTSR1
SCHEMBL3863932 0.81 PPARG (0.52) PPARGPPARAPPARDNTSR1
SCHEMBL5801933 0.81 PPARG (0.52) PPARGPPARAPPARDNTSR1
SCHEMBL13897462 0.81 PPARG (0.52) PPARGPPARAPPARDNTSR1
SCHEMBL3872672 0.80 PPARA (0.54) PPARGPPARAPPARDNTSR1
SCHEMBL4819840 0.79 NTSR1 (0.48) PPARGPPARAPPARDMGLLNTSR1
SCHEMBL1277844 0.76 PPARG (0.74) PPARGPPARAPPARD
SCHEMBL1277840 0.76 PPARG (0.74) PPARGPPARAPPARD
SCHEMBL3031211 0.76 PPARG (0.74) PPARGPPARAPPARD
SCHEMBL3862832 0.74 PPARG (0.61) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
US-20060122223-A1 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 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-20060122223-A1 Substituted amino carboxylic acids PTPRS, PTPRO, PTPRJ PPARG 328/4885PPARA 314/4885PPARD 741/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO PPARG 448/4885PPARA 406/4885PPARD 1036/4885

“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.