SCHEMBL2296993

SCHEMBL2296993

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.67
PPARG P37231 9/20 0.67
PPARD Q03181 2/20 0.67
ACE P12821 1/20 0.59
ITGB3 P05106 2/20 0.59
ITGA2B P08514 2/20 0.59
PTPN1 P18031 3/20 0.56
SCN9A Q15858 1/20 0.53
CTSS P25774 3/20 0.53
CTSK P43235 2/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
ITGB1 P05556 1/20 0.52
ITGAV P06756 1/20 0.52
ITGB5 P18084 1/20 0.52

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
SCHEMBL12984836 0.94 PPARA (0.74) PPARAPPARGPPARDACEITGB3
SCHEMBL5065660 0.94 PPARA (0.74) PPARAPPARGPPARDACEITGB3
SCHEMBL9005835 0.94 PPARA (0.74) PPARAPPARGPPARDACEITGB3
SCHEMBL3923929 0.92 ACE (0.65) PPARAPPARGPPARDACEITGB3
SCHEMBL3923937 0.92 ACE (0.65) PPARAPPARGPPARDACEITGB3
SCHEMBL3925152 0.92 ACE (0.65) PPARAPPARGPPARDACEITGB3
SCHEMBL2290444 0.92 ACE (0.65) PPARAPPARGPPARDACEITGB3
SCHEMBL2292944 0.91 PPARG (0.59) PPARAPPARGPPARDACEITGB3
SCHEMBL2292947 0.91 PPARG (0.59) PPARAPPARGPPARDACEITGB3
SCHEMBL2289496 0.88 PPARA (0.66) PPARAPPARGPPARDACEITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989480-B2 Aryl amino acid derivatives as inhibitors for treating inflammation DECODE GENETICS EHF (IS) 2011-08-02 US disclosed
US-20080033024-A1 ARYL AMINO ACID DERIVATIVES AS INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 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-20080033024-A1 ARYL AMINO ACID DERIVATIVES AS INHIBITORS FOR TREATING INFLAMMATION LTA4H, LTB4R2, LTB4R PPARA 350/4885PPARG 410/4885PPARD 805/4885

“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.