SCHEMBL3874668

SCHEMBL3874668

CC(C)(C)OC(=O)[C@H](CSCc1ccccc1-c1ccc(-c2cccc3c2oc2ccccc23)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.39
GGPS1 O95749 1/20 0.37
ICMT O60725 1/20 0.37
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
C3AR1 Q16581 1/20 0.33
PRKDC P78527 1/20 0.33
EDNRB P24530 5/20 0.33
HDAC8 Q9BY41 2/20 0.33
TBXA2R P21731 1/20 0.32
PTGIR P43119 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL3862090 0.91 PPARA (0.40) ALOX5GGPS1ICMTC3AR1PPARG
SCHEMBL3863946 0.91 PPARA (0.40) ALOX5GGPS1ICMTC3AR1PPARG
SCHEMBL3869773 0.89 ALOX5 (0.37) ALOX5GGPS1ICMTFNTAFNTB
SCHEMBL3862977 0.87 GGPS1 (0.45) ALOX5GGPS1ICMTFNTAFNTB
SCHEMBL13897433 0.85 PPARA (0.51) ICMTFNTAFNTBC3AR1PPARG
SCHEMBL14175328 0.78 ALOX5 (0.39) ALOX5GGPS1ICMTFNTAFNTB
SCHEMBL3867988 0.78 ALOX5 (0.38) ALOX5GGPS1C3AR1PRKDC
SCHEMBL3869192 0.77 ALOX5 (0.38) ALOX5GGPS1ICMTFNTAFNTB
SCHEMBL5197702 0.77 PTPN1 (0.39) ALOX5GGPS1KMT2AC3AR1HDAC8
SCHEMBL4817129 0.76 PPARA (0.61) ICMTC3AR1PPARGPPARA

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.