SCHEMBL2290589

SCHEMBL2290589

CC(C)(C)OC(=O)NC(Cc1ccc(Oc2ccc(Oc3ccc(Cl)cc3)cc2)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.62
ITGA2B P08514 1/20 0.62
PPARA Q07869 5/20 0.59
PPARG P37231 4/20 0.59
ACE P12821 1/20 0.57
PTPN1 P18031 3/20 0.53
CTSS P25774 6/20 0.51
CTSK P43235 5/20 0.51
SCN9A Q15858 1/20 0.51
CTSL P07711 2/20 0.50
CTSB P07858 1/20 0.50
ITGA4 P13612 1/20 0.49
ITGB7 P26010 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL2290585 1.00 ITGB3 (0.62) ITGB3ITGA2BPPARAPPARGACE
SCHEMBL2287578 0.96 ITGB3 (0.59) ITGB3ITGA2BPPARAPPARGACE
SCHEMBL2287582 0.96 ITGB3 (0.59) ITGB3ITGA2BPPARAPPARGACE
SCHEMBL181849 0.94 PPARA (0.65) ITGB3ITGA2BPPARAPPARGACE
SCHEMBL1309909 0.94 PPARA (0.65) ITGB3ITGA2BPPARAPPARGACE
SCHEMBL181848 0.94 PPARA (0.65) ITGB3ITGA2BPPARAPPARGACE
SCHEMBL3923929 0.90 ACE (0.65) ITGB3ITGA2BPPARAPPARGACE
SCHEMBL2290444 0.90 ACE (0.65) ITGB3ITGA2BPPARAPPARGACE
SCHEMBL3923937 0.90 ACE (0.65) ITGB3ITGA2BPPARAPPARGACE
SCHEMBL3925152 0.90 ACE (0.65) ITGB3ITGA2BPPARAPPARGACE

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-7989480-B2 Aryl amino acid derivatives as inhibitors for treating inflammation DECODE GENETICS EHF (IS) 2011-08-02 US disclosed
EP-2066800-A2 ARYL AMINO ACID DERIVATIVES AS INHIBITORS OF LTA4H (LEUKOTRIENE A4 HYDROLASE) FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2009-06-10 EP disclosed
WO-2008019306-A2 ARYL AMINO ACID DERIVATIVES AS INHIBITORS OF LTA4H (LEUKOTRIENE A4 HYDROLASE) FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2008-02-14 WO 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 ITGB3 772/4885ITGA2B 1886/4885PPARA 350/4885

“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.