SCHEMBL2289496

SCHEMBL2289496

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.66
PPARG P37231 4/20 0.66
ACE P12821 2/20 0.65
ITGB3 P05106 2/20 0.61
ITGA2B P08514 2/20 0.61
CTSS P25774 3/20 0.58
CTSK P43235 2/20 0.58
CTSL P07711 1/20 0.58
CTSB P07858 1/20 0.58
PTPN1 P18031 3/20 0.57
SCN9A Q15858 1/20 0.55
HDAC8 Q9BY41 1/20 0.53
MME P08473 1/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
APP P05067 1/20 0.53
PPARD Q03181 2/20 0.52
MMP13 P45452 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
SCHEMBL3923937 0.94 ACE (0.65) PPARAPPARGACEITGB3ITGA2B
SCHEMBL3923929 0.94 ACE (0.65) PPARAPPARGACEITGB3ITGA2B
SCHEMBL3925152 0.94 ACE (0.65) PPARAPPARGACEITGB3ITGA2B
SCHEMBL2290444 0.94 ACE (0.65) PPARAPPARGACEITGB3ITGA2B
SCHEMBL7346390 0.94 PPARA (0.73) PPARAPPARGACEITGB3ITGA2B
SCHEMBL20249540 0.91 KLK5 (0.61) PPARAPPARGACEITGB3ITGA2B
SCHEMBL2287582 0.91 ITGB3 (0.59) PPARAPPARGACEITGB3ITGA2B
SCHEMBL2287578 0.91 ITGB3 (0.59) PPARAPPARGACEITGB3ITGA2B
SCHEMBL4739863 0.89 ACE (0.60) PPARAPPARGACEITGB3ITGA2B
SCHEMBL20249541 0.89 SCN9A (0.58) PPARAPPARGACEITGB3ITGA2B

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 410/4885ACE 151/4885

“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.