SCHEMBL4092052

SCHEMBL4092052

CC(C)(C)OC(=O)NNCCCCOCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.55
PPARA Q07869 2/20 0.52
PPARG P37231 1/20 0.47
CTSS P25774 1/20 0.46
IDO1 P14902 1/20 0.45
EPHX2 P34913 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
SYK P43405 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
AKT1 P31749 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
NAAA Q02083 1/20 0.42
HTT P42858 1/20 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
SCHEMBL27526855 0.96 L3MBTL1 (0.53) L3MBTL1PPARAPPARGCTSSIDO1
SCHEMBL25957572 0.87 L3MBTL1 (0.56) L3MBTL1PPARACTSSIDO1EPHX2
SCHEMBL21106167 0.87 L3MBTL1 (0.56) L3MBTL1PPARACTSSIDO1EPHX2
SCHEMBL20196937 0.87 L3MBTL1 (0.58) L3MBTL1PPARACTSSIDO1EPHX2
SCHEMBL13622021 0.84 IDO1 (0.56) L3MBTL1PPARAPPARGCTSSIDO1
SCHEMBL30958389 0.84 L3MBTL1 (0.55) L3MBTL1PPARACTSSIDO1EPHX2
SCHEMBL7965253 0.83 HDAC3 (0.55) L3MBTL1CTSSIDO1CA12CA1
SCHEMBL29456998 0.83 SMN1; SMN2 (0.58) L3MBTL1PPARAPPARGCTSSIDO1
SCHEMBL1568590 0.82 IDO1 (0.52) L3MBTL1PPARACTSSIDO1CA12
SCHEMBL26654456 0.82 L3MBTL1 (0.52) L3MBTL1PPARAPPARGCA12CA1

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
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 L3MBTL1 1886/4885PPARA 1443/4885PPARG 390/4885

“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.