SCHEMBL2291830

SCHEMBL2291830

COc1ccc(Oc2ccc(C[C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
SPHK1 Q9NYA1 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
STS P08842 1/20 0.38
HSD11B2 P80365 1/20 0.37
GHSR Q92847 1/20 0.37
BRD4 O60885 1/20 0.37
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2D6 P10635 3/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC2A1 P11166 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
SCHEMBL6487557 0.92 SPHK1 (0.39) SMN1; SMN2MAPTSPHK1ALDH1A1HSD11B2
SCHEMBL2288435 0.92 SPHK1 (0.39) SMN1; SMN2MAPTSPHK1ALDH1A1HSD11B2
SCHEMBL6487562 0.92 SPHK1 (0.39) SMN1; SMN2MAPTSPHK1ALDH1A1HSD11B2
SCHEMBL6486930 0.91 BRD4 (0.46) SMN1; SMN2SPHK1ALDH1A1STSHSD11B2
SCHEMBL6486940 0.91 BRD4 (0.46) SMN1; SMN2SPHK1ALDH1A1STSHSD11B2
SCHEMBL2295708 0.89 NR1H2 (0.39) SMN1; SMN2MAPTSPHK1ALDH1A1BRD4
SCHEMBL2295715 0.89 NR1H2 (0.39) SMN1; SMN2MAPTSPHK1ALDH1A1BRD4
SCHEMBL2290598 0.85 SPHK1 (0.43) MAPTSPHK1HSD11B2BRD4KDM1A
SCHEMBL2290590 0.85 SPHK1 (0.43) MAPTSPHK1HSD11B2BRD4KDM1A
SCHEMBL6480073 0.83 P2RX3 (0.37) SPHK1

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 4741/4885LMNA 3053/4885MAPT 4415/4885

“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.