SCHEMBL20137009

SCHEMBL20137009

CC(C)(C)C(=O)OCOC(=O)CCCN(Cc1ccccc1)c1cc(C(F)(F)F)ccc1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PPARG P37231 4/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 4/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
DHFR P00374 1/20 0.34
MTOR P42345 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX5 P09917 1/20 0.33
CETP P11597 1/20 0.33
NR3C1 P04150 1/20 0.33
RXRA P19793 1/20 0.32

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
SCHEMBL20151846 0.88 PPARD (0.38) KDM4EALDH1A1PPARDPPARAPOLB
SCHEMBL20137037 0.87 KDM4E (0.38) KDM4EALDH1A1TMEM97SIGMAR1PPARG
Hydrochloric Acid SCHEMBL20137043 0.86 KDM4E (0.37) MGLLKDM4EALDH1A1TMEM97SIGMAR1
SCHEMBL20166910 0.85 KDM4E (0.39) KDM4EALDH1A1TMEM97SIGMAR1PPARG
SCHEMBL20166820 0.84 ALOX5 (0.40) KDM4EALDH1A1TMEM97SIGMAR1PPARG
SCHEMBL29561187 0.84 FFAR4 (0.39) KDM4EALDH1A1TMEM97SIGMAR1PPARG
SCHEMBL20137089 0.84 FFAR4 (0.39) KDM4EALDH1A1TMEM97SIGMAR1PPARG
Hydrochloric Acid SCHEMBL20137048 0.83 FFAR4 (0.39) KDM4EALDH1A1TMEM97SIGMAR1PPARG
Hydrochloric Acid SCHEMBL29560707 0.83 FFAR4 (0.39) KDM4EALDH1A1TMEM97SIGMAR1PPARG
SCHEMBL20137125 0.82 MGLL (0.39) MGLLKDM4EALDH1A1TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110267963-B MAGL inhibitors H.隆德贝克有限公司 2022-04-01 CN disclosed
EP-3541821-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 EP disclosed
US-10093635-B2 MAGL inhibitors ABIDE THERAPEUTICS, INC. (US) 2018-10-09 US disclosed
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed
US-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 US disclosed
US-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 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 (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-20180134674-A1 MAGL INHIBITORS MAG, MAGI3, MGLL MGLL 3/4885KDM4E 984/4885ALDH1A1 4349/4885
US-10093635-B2 MAGL inhibitors MAG, MAGI3, MGLL MGLL 3/4885KDM4E 984/4885ALDH1A1 4349/4885

“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.