SCHEMBL2295053

SCHEMBL2295053

COC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.52
CTSK P43235 2/20 0.52
PPARA Q07869 2/20 0.52
PPARG P37231 1/20 0.52
ACACB O00763 1/20 0.51
ACACA Q13085 1/20 0.51
ATM Q13315 2/20 0.46
KLK5 Q9Y337 2/20 0.45
MMP13 P45452 1/20 0.45
S1PR3 Q99500 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
SRD5A2 P31213 1/20 0.42

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
SCHEMBL2292941 0.91 PPARA (0.57) CTSSCTSKPPARAPPARGACACB
SCHEMBL2574963 0.86 CTSS (0.54) CTSSCTSKPPARAACACBATM
SCHEMBL20439333 0.86 CTSS (0.54) CTSSCTSKPPARAACACBATM
SCHEMBL2574965 0.86 CTSS (0.54) CTSSCTSKPPARAACACBATM
SCHEMBL20249540 0.84 KLK5 (0.61) CTSSCTSKPPARAPPARGATM
SCHEMBL12379280 0.83 ACACB (0.56) PPARAPPARGACACBACACAATM
SCHEMBL1951343 0.83 CTSK (0.63) CTSSCTSKATMKLK5S1PR3
SCHEMBL1095763 0.83 CTSK (0.63) CTSSCTSKATMKLK5S1PR3
SCHEMBL1095762 0.83 CTSK (0.63) CTSSCTSKATMKLK5S1PR3
SCHEMBL23200772 0.81 PPARA (0.52) CTSSCTSKPPARAPPARGATM

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 6 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-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
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 CTSS 806/4885CTSK 1400/4885PPARA 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.