SCHEMBL2291027

SCHEMBL2291027

NC(Cc1ccc(Oc2ccc(Oc3ccc(-c4nccs4)cc3)cc2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.51
TPH1 P17752 4/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
GRIK1 P39086 1/20 0.47
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47
GRIK2 Q13002 1/20 0.47
GRIK3 Q13003 1/20 0.47
GRIK4 Q16099 1/20 0.47
GRIK5 Q16478 1/20 0.47
FFAR1 O14842 1/20 0.47
PTPN1 P18031 1/20 0.46
SLC7A5 Q01650 3/20 0.46
PTGS1 P23219 2/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL2291017 1.00 LTA4H (0.51) LTA4HTPH1ITGB3ITGA2BLOXL2
SCHEMBL7606167 0.92 LOXL2 (0.55) TPH1ITGB3ITGA2BLOXL2GRIK1
SCHEMBL7606159 0.92 LOXL2 (0.55) TPH1ITGB3ITGA2BLOXL2GRIK1
SCHEMBL2291507 0.83 LOXL2 (0.51) LTA4HLOXL2FFAR1PCNAPDPK1
SCHEMBL2291509 0.83 LOXL2 (0.51) LTA4HLOXL2FFAR1PCNAPDPK1
SCHEMBL12379273 0.82 LTA4H (0.53) LTA4HLOXL2FFAR1PDPK1
SCHEMBL14210017 0.80 LOXL2 (0.56) LTA4HLOXL2GRIK1GRIA1GRIA2
SCHEMBL6159998 0.80 ADRB2 (0.50) LTA4HTPH1LOXL2FFAR1PDPK1
SCHEMBL6575622 0.80 ADRB2 (0.50) LTA4HTPH1LOXL2FFAR1PDPK1
Hydrochloric Acid SCHEMBL6159994 0.79 ADRB2 (0.49) LTA4HTPH1LOXL2FFAR1PDPK1

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 LTA4H 1/4885TPH1 69/4885ITGB3 772/4885

“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.