SCHEMBL2522263

SCHEMBL2522263

CC(C)(C)OC(=O)N(Br)Cc1cccc(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.37
MAOA P21397 6/20 0.37
MAOB P27338 6/20 0.37
SLC7A5 Q01650 1/20 0.36
UNG P13051 1/20 0.36
RIPK1 Q13546 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
GRM2 Q14416 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
GLS O94925 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2526085 0.86 ALDH1A1 (0.39) AKT1RIPK1ALDH1A1HDAC3HDAC1
SCHEMBL2522210 0.82 AKT1 (0.39) AKT1SLC7A5RIPK1HDAC3HDAC1
SCHEMBL19950486 0.81 RIPK1 (0.51) MAOBRIPK1ALDH1A1
SCHEMBL3353841 0.80 AKT1 (0.54) AKT1RIPK1HDAC3HDAC1HDAC2
SCHEMBL2520668 0.75 SLC7A5 (0.39) AKT1SLC7A5RIPK1HDAC3HDAC1
SCHEMBL31189319 0.74 CYP4F2 (0.42) MAOAMAOBSLC7A5UNGNPC1
SCHEMBL3119357 0.73 UNG (0.40) MAOAMAOBUNGALDH1A1NR1H4
SCHEMBL14558957 0.73 GLS (0.43) AKT1RIPK1HTR2CSLC6A4NR1H4
SCHEMBL209838 0.73 GLS (0.52) HDAC1GRM2GLS
SCHEMBL29952891 0.73 GLS (0.52) HDAC1GRM2GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556060-A1 SUBSTITUTED 3,5- DIPHENYL-ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES AH USA 42 LLC (US) 2013-02-13 EP disclosed
WO-2011124998-A1 SUBSTITUTED 3,5- DI PHENYL - ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES PFIZER INC. (US) 2011-10-13 WO disclosed
US-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES PFIZER INC. (US) 2011-10-13 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-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES CYP4X1, COL1A1, RDX AKT1 2073/4885MAOA 1596/4885MAOB 1202/4885

“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.