SCHEMBL2288435

SCHEMBL2288435

CC(C)(C)OC(=O)N1[C@@H](Cc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)COC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
HSD11B2 P80365 1/20 0.37
GHSR Q92847 1/20 0.37
BRD4 O60885 1/20 0.37
PPARG P37231 2/20 0.37
KLK7 P49862 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
FAAH O00519 1/20 0.35
BTK Q06187 3/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CSF1R P07333 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6487562 1.00 SPHK1 (0.39) SPHK1NR1H2NR1H3HSD11B2GHSR
SCHEMBL6487557 1.00 SPHK1 (0.39) SPHK1NR1H2NR1H3HSD11B2GHSR
SCHEMBL2295715 0.95 NR1H2 (0.39) SPHK1NR1H2NR1H3BRD4KLK7
SCHEMBL2295708 0.95 NR1H2 (0.39) SPHK1NR1H2NR1H3BRD4KLK7
SCHEMBL2291830 0.92 SMN1; SMN2 (0.40) SPHK1HSD11B2GHSRBRD4ALDH1A1
SCHEMBL6486930 0.91 BRD4 (0.46) SPHK1HSD11B2GHSRBRD4ALDH1A1
SCHEMBL6486940 0.91 BRD4 (0.46) SPHK1HSD11B2GHSRBRD4ALDH1A1
SCHEMBL6481265 0.86 CARM1 (0.43) SPHK1NR1H2NR1H3KDM4EALDH1A1
SCHEMBL6481261 0.86 CARM1 (0.43) SPHK1NR1H2NR1H3KDM4EALDH1A1
SCHEMBL6488889 0.86 SPHK1 (0.39) SPHK1NR1H2NR1H3HSD11B2BRD4

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 SPHK1 2199/4885NR1H2 342/4885NR1H3 299/4885

“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.