SCHEMBL2292934

SCHEMBL2292934

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
SRD5A2 P31213 1/20 0.45
LTA4H P09960 2/20 0.44
NR3C1 P04150 1/20 0.44
RNF4 P78317 1/20 0.44
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
MLYCD O95822 1/20 0.40
FFAR1 O14842 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MMP13 P45452 1/20 0.39
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL2295051 0.91 MLYCD (0.47) SRD5A2LTA4HNR3C1RNF4ACACB
SCHEMBL191548 0.84 MAOB (0.50) FFAR1
SCHEMBL219603 0.83 SMN1; SMN2 (0.49) SMN1; SMN2MLYCDL3MBTL1
SCHEMBL6607125 0.80 GSTO1 (0.42) SMN1; SMN2MLYCD
SCHEMBL3660817 0.80 KEAP1 (0.49) RNF4L3MBTL1
SCHEMBL8469252 0.80 PPARG (0.42) MLYCDPPARAPPARG
SCHEMBL4840303 0.80 NR1H4 (0.45) NR3C1MLYCD
SCHEMBL2292936 0.80 SRD5A2 (0.44) SMN1; SMN2SRD5A2LTA4HNR3C1RNF4
SCHEMBL11090974 0.79 NR1H2 (0.38) SMN1; SMN2MLYCD
SCHEMBL1350475 0.78 MAOB (0.43) MLYCDL3MBTL1PPARAPPARG

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 SMN1; SMN2 4741/4885SRD5A2 1780/4885LTA4H 1/4885

“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.