SCHEMBL2292936

SCHEMBL2292936

CC(=O)ON(C(=O)OC(C)(C)C)c1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.44
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
NR3C1 P04150 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MMP13 P45452 1/20 0.39
PPARA Q07869 2/20 0.38
PPARG P37231 2/20 0.38
LMNA P02545 1/20 0.38
NPY5R Q15761 1/20 0.38
RNF4 P78317 1/20 0.38
LTA4H P09960 2/20 0.37
ELANE P08246 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8706596 0.82 MEN1 (0.38) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL2292934 0.80 SMN1; SMN2 (0.45) SRD5A2ACACBACACANR3C1L3MBTL1
SCHEMBL2295051 0.78 MLYCD (0.47) SRD5A2ACACBACACANR3C1L3MBTL1
SCHEMBL6543664 0.71 SRD5A2 (0.41) SRD5A2ACACBACACAL3MBTL1MMP13
SCHEMBL18051150 0.70 L3MBTL1 (0.54) L3MBTL1PPARAHDAC3HDAC1HDAC2
SCHEMBL8990079 0.69 ELANE (0.58) SRD5A2ACACBACACAPPARAPPARG
SCHEMBL2292941 0.69 PPARA (0.57) SRD5A2ACACBACACAMMP13PPARA
SCHEMBL2295053 0.68 CTSS (0.52) SRD5A2ACACBACACAMMP13PPARA
SCHEMBL246373 0.67 LTA4H (0.67) SRD5A2ACACBACACAL3MBTL1PPARA
SCHEMBL7178244 0.67 LTA4H (0.67) SRD5A2ACACBACACAL3MBTL1PPARA

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 SRD5A2 1780/4885ACACB 1829/4885ACACA 1249/4885

“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.