SCHEMBL2291509

SCHEMBL2291509

NC(CO)Cc1ccc(Oc2ccc(Oc3ccc(-c4nccs4)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.51
LTA4H P09960 2/20 0.46
ADRB2 P07550 3/20 0.44
PDPK1 O15530 1/20 0.41
FFAR1 O14842 1/20 0.41
PCNA P12004 1/20 0.41
LIG1 P18858 1/20 0.41
SCN9A Q15858 3/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
CARM1 Q86X55 1/20 0.37
P2RX4 Q99571 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
SCHEMBL2291507 1.00 LOXL2 (0.51) LOXL2LTA4HADRB2PDPK1FFAR1
SCHEMBL2291027 0.83 LTA4H (0.51) LOXL2LTA4HPDPK1FFAR1PCNA
SCHEMBL2291017 0.83 LTA4H (0.51) LOXL2LTA4HPDPK1FFAR1PCNA
SCHEMBL28579042 0.81 PDPK1 (0.61) LOXL2LTA4HADRB2PDPK1FFAR1
SCHEMBL22530451 0.76 LOXL2 (0.54) LOXL2LTA4HADRB2PDPK1SLC6A4
SCHEMBL2295510 0.76 PDPK1 (0.52) LOXL2LTA4HADRB2PDPK1FFAR1
SCHEMBL12379273 0.75 LTA4H (0.53) LOXL2LTA4HADRB2PDPK1FFAR1
SCHEMBL6869224 0.74 LOXL2 (0.53) LOXL2LTA4HADRB2PDPK1FFAR1
SCHEMBL12379270 0.74 LTA4H (0.50) LOXL2LTA4HADRB2FFAR1SCN9A
SCHEMBL7606167 0.73 LOXL2 (0.55) LOXL2ADRB2PDPK1FFAR1SLC6A3

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 2 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-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 LOXL2 108/4885LTA4H 1/4885ADRB2 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.