SCHEMBL3872672

SCHEMBL3872672

CC(C)(C)OC(=O)N[C@@H](CSCc1ccc(NC(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.54
PPARG P37231 10/20 0.54
PPARD Q03181 4/20 0.51
PTPN1 P18031 2/20 0.46
NTSR1 P30989 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.43
LTA4H P09960 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 0.87 PPARA (0.61) PPARAPPARGPPARDNTSR1
SCHEMBL4824100 0.87 PTPN1 (0.45) PPARAPPARDPTPN1NTSR1SIRT2
SCHEMBL5801933 0.86 PPARG (0.52) PPARAPPARGPPARDNTSR1
SCHEMBL3863932 0.86 PPARG (0.52) PPARAPPARGPPARDNTSR1
SCHEMBL13897462 0.86 PPARG (0.52) PPARAPPARGPPARDNTSR1
SCHEMBL3864929 0.80 PPARG (0.50) PPARAPPARGPPARDNTSR1
SCHEMBL5199717 0.78 PPARG (0.53) PPARAPPARGPPARDPTPN1SIRT2
SCHEMBL5199622 0.78 PPARG (0.53) PPARAPPARGPPARDPTPN1SIRT2
SCHEMBL4467917 0.77 PPARD (0.55) PPARAPPARGPPARDNTSR1LTA4H
SCHEMBL5762625 0.76 GAA (0.54) PPARAPPARDNTSR1LTA4H

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 PPARA 314/4885PPARG 328/4885PPARD 741/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO PPARA 406/4885PPARG 448/4885PPARD 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.