SCHEMBL3869773

SCHEMBL3869773

CC(C)(C)OC(=O)[C@H](CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1F)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.37
GGPS1 O95749 1/20 0.35
ICMT O60725 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
BDKRB1 P46663 6/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PRKDC P78527 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
ACLY P53396 1/20 0.31
BCHE P06276 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL3874668 0.89 ALOX5 (0.39) ALOX5GGPS1ICMTPRKDCHDAC8
SCHEMBL3862977 0.87 GGPS1 (0.45) ALOX5GGPS1ICMTMMP12MMP13
SCHEMBL4823488 0.87 PPARA (0.46) ICMT
SCHEMBL3863946 0.87 PPARA (0.40) ALOX5GGPS1ICMTMMP12MMP13
SCHEMBL3862090 0.87 PPARA (0.40) ALOX5GGPS1ICMTMMP12MMP13
SCHEMBL3875723 0.84 PPARG (0.46) ALOX5GGPS1ICMT
SCHEMBL3863501 0.78 PPARA (0.46) ALOX5GGPS1ICMT
SCHEMBL14175328 0.75 ALOX5 (0.39) ALOX5GGPS1ICMTMMP12MMP13
SCHEMBL13897433 0.75 PPARA (0.51) ICMTFNTAFNTB
SCHEMBL13897395 0.75 PPARA (0.55) GGPS1ICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US claimed
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
EP-1814869-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-08-08 EP disclosed
US-20060122223-A1 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
WO-2006055725-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO 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 ALOX5 1550/4885GGPS1 2741/4885ICMT 4335/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO ALOX5 1758/4885GGPS1 2583/4885ICMT 4431/4885

“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.