SCHEMBL2289463

SCHEMBL2289463

COc1ccc(Oc2ccc(-c3nccs3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.50
ADRB2 P07550 1/20 0.50
LTA4H P09960 1/20 0.50
SMPD3 Q9NY59 1/20 0.49
FBP1 P09467 1/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MGAM O43451 2/20 0.46
GAA P10253 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
CLK4 Q9HAZ1 1/20 0.46

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
SCHEMBL468161 0.95 PDPK1 (0.57) PDPK1LOXL2ADRB2SMPD3FBP1
Hydrochloric Acid SCHEMBL27523094 0.93 PDPK1 (0.55) PDPK1LOXL2ADRB2SMPD3FBP1
SCHEMBL28579042 0.91 PDPK1 (0.61) PDPK1LOXL2ADRB2LTA4HSMPD3
SCHEMBL8557496 0.84 APP (0.53) PDPK1LOXL2ADRB2RAB9ANPC1
SCHEMBL27630903 0.83 ADRB2 (0.48) PDPK1LOXL2ADRB2LTA4HSMPD3
SCHEMBL2295510 0.83 PDPK1 (0.52) PDPK1LOXL2ADRB2LTA4HSMPD3
SCHEMBL22530451 0.83 LOXL2 (0.54) PDPK1LOXL2ADRB2LTA4HFBP1
SCHEMBL722198 0.79 PDPK1 (0.77) PDPK1LOXL2ADRB2SMPD3ABL1
SCHEMBL577583 0.78 GABRA1 (0.44) PDPK1LOXL2ADRB2SMPD3FBP1
SCHEMBL4720884 0.77 LOXL2 (0.56) PDPK1LOXL2ADRB2LTA4HRAB9A

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 9 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
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
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
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 PDPK1 3472/4885LOXL2 108/4885ADRB2 859/4885

“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.