SCHEMBL4821131

SCHEMBL4821131

CC(C)(C)OC(=O)NC(C/C=C/c1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.42
PPARG P37231 5/20 0.42
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
PTPN1 P18031 1/20 0.40
CTSB P07858 1/20 0.39
SCN9A Q15858 1/20 0.38
C3AR1 Q16581 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
EPHX2 P34913 1/20 0.37
ACE P12821 1/20 0.37
PPARD Q03181 2/20 0.36
GGPS1 O95749 1/20 0.36
ICMT O60725 1/20 0.36
ALOX5 P09917 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36

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
SCHEMBL4821140 1.00 PPARA (0.42) PPARAPPARGCTSSCTSKPTPN1
SCHEMBL3864527 0.97 CTSS (0.41) PPARAPPARGCTSSCTSKPTPN1
SCHEMBL3864530 0.97 CTSS (0.41) PPARAPPARGCTSSCTSKPTPN1
SCHEMBL3875863 0.91 CTSS (0.40) PPARAPPARGCTSSCTSKCTSB
SCHEMBL13897545 0.91 CTSS (0.40) PPARAPPARGCTSSCTSKCTSB
SCHEMBL3875861 0.91 CTSS (0.40) PPARAPPARGCTSSCTSKCTSB
SCHEMBL13897605 0.83 GGPS1 (0.39) CTSSCTSKCTSBHDAC8EPHX2
SCHEMBL3864846 0.83 GGPS1 (0.39) CTSSCTSKCTSBHDAC8EPHX2
SCHEMBL3864842 0.83 GGPS1 (0.39) CTSSCTSKCTSBHDAC8EPHX2
SCHEMBL4823665 0.82 PPARA (0.45) PPARAPPARGCTSSCTSKPTPN1

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-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 US claimed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 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 (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-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO PPARA 406/4885PPARG 448/4885CTSS 3788/4885

“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.