SCHEMBL3869192

SCHEMBL3869192

CC(C)(C)OC(=O)[C@H](C[S+]([O-])Cc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
GGPS1 O95749 1/20 0.38
C3AR1 Q16581 1/20 0.35
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
PTPN1 P18031 7/20 0.33
PRKDC P78527 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
ICMT O60725 1/20 0.31
PTPRF P10586 1/20 0.31
PTPRA P18433 1/20 0.31
PTPN7 P35236 1/20 0.31
DUSP3 P51452 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
SCHEMBL4825628 0.86 PTPN1 (0.42) ALOX5GGPS1C3AR1PTPN1FNTA
SCHEMBL4825625 0.86 PTPN1 (0.42) ALOX5GGPS1C3AR1PTPN1FNTA
SCHEMBL3862090 0.83 PPARA (0.40) ALOX5GGPS1C3AR1MMP12MMP13
SCHEMBL3863946 0.83 PPARA (0.40) ALOX5GGPS1C3AR1MMP12MMP13
SCHEMBL3867988 0.81 ALOX5 (0.38) ALOX5GGPS1C3AR1MMP12MMP13
SCHEMBL3862977 0.78 GGPS1 (0.45) ALOX5GGPS1C3AR1MMP12MMP13
SCHEMBL3874668 0.77 ALOX5 (0.39) ALOX5GGPS1C3AR1PRKDCHDAC8
SCHEMBL14175328 0.76 ALOX5 (0.39) ALOX5GGPS1C3AR1MMP12MMP13
SCHEMBL3869773 0.74 ALOX5 (0.37) ALOX5GGPS1MMP12MMP13PRKDC
SCHEMBL4816786 0.73 C3AR1 (0.51) GGPS1C3AR1MMP12MMP13PTPN1

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 ALOX5 1550/4885GGPS1 2741/4885C3AR1 3702/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO ALOX5 1758/4885GGPS1 2583/4885C3AR1 3309/4885

“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.