SCHEMBL2293880

SCHEMBL2293880

CNC(CO)Cc1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
PPARG P37231 5/20 0.47
PPARA Q07869 5/20 0.47
SRD5A2 P31213 1/20 0.46
LTA4H P09960 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
SLC18A2 Q05940 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
NPY5R Q15761 2/20 0.42

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
SCHEMBL2293359 1.00 ACACB (0.47) ACACBACACAPPARGPPARASRD5A2
Hydrochloric Acid SCHEMBL2291285 0.98 ACACB (0.46) ACACBACACAPPARGPPARASRD5A2
SCHEMBL12379288 0.94 LTA4H (0.53) ACACBPPARGPPARASRD5A2LTA4H
Hydrochloric Acid SCHEMBL2296186 0.92 LTA4H (0.51) ACACBPPARGPPARASRD5A2LTA4H
SCHEMBL12379296 0.87 LTA4H (0.50) PPARGPPARALTA4HSIGMAR1
SCHEMBL693965 0.85 MAPK1 (0.57) CYP3A4MAPK1OPRD1OPRK1TAAR1
SCHEMBL1396350 0.85 MAPK1 (0.57) CYP3A4MAPK1OPRD1OPRK1TAAR1
SCHEMBL1908735 0.85 MAPK1 (0.57) CYP3A4MAPK1OPRD1OPRK1TAAR1
SCHEMBL17923855 0.84 LTA4H (0.52) PPARGPPARALTA4HSIGMAR1
SCHEMBL13191914 0.84 LTA4H (0.52) PPARGPPARALTA4HSIGMAR1

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 ACACB 1829/4885ACACA 1249/4885PPARG 410/4885

“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.