SCHEMBL14975778

SCHEMBL14975778

O=C(Oc1ncccc1CCOCCc1ccccc1)Oc1ncccc1CCOCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 4/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR1 O14842 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
MAPK8 P45983 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
LTA4H P09960 1/20 0.38
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL14975779 0.92 SLC13A5 (0.41) SLC13A5CYP11B1CYP11B2HCAR2NPC1
SCHEMBL16058002 0.88 ABCB1 (0.47) SLC13A5NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL16057401 0.86 PTGER1 (0.46) SLC13A5NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL16056927 0.86 BID (0.44) SLC13A5SMN1; SMN2FFAR1DAGLAKMT2A
SCHEMBL16057367 0.84 BID (0.47) SLC13A5DAGLA
SCHEMBL16057162 0.81 FFAR1 (0.44) NPC1RAB9AFFAR1KMT2AABCB1
SCHEMBL16058003 0.80 ABCB1 (0.47) SLC13A5NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL16058681 0.78 PAX8 (0.42) SLC13A5RAB9ASMN1; SMN2L3MBTL1MAPK8
SCHEMBL14974627 0.77 SLC13A5 (0.44) SLC13A5NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL16056930 0.77 BID (0.44) SLC13A5SMN1; SMN2FFAR1DAGLAKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782567-B1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) UNIV CALIFORNIA (US) 2017-03-22 EP disclosed
US-20160235707-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) FOND ST ITALIANO TECNOLOGIA (IT) 2016-08-18 US disclosed
US-9353075-B2 Disubstituted beta-lactones as inhibitors of N-acylethanolamine acid amidase (NAAA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 US disclosed
EP-2782567-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) The Regents of The University of California (US) 2014-10-01 EP disclosed
US-20130281490-A1 Disubstituted Beta-lactones as Inhibitors of N-Acylethanolamine Acid Amidase (NAAA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-10-24 US disclosed
WO-2013078430-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 WO 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 (2 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-20130281490-A1 Disubstituted Beta-lactones as Inhibitors of N-Acylethanolamine Acid Amidase (NAAA) NAAA, FAAH, FAAH2 SLC13A5 3028/4885CYP11B1 3262/4885CYP11B2 3392/4885
US-20160235707-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) NAAA, FAAH, FAAH2 SLC13A5 3028/4885CYP11B1 3262/4885CYP11B2 3392/4885

“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.