SCHEMBL2522210

SCHEMBL2522210

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.39
S1PR1 P21453 9/20 0.38
GLS O94925 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
RIPK1 Q13546 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC7A5 Q01650 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL19950486 0.84 RIPK1 (0.51) RIPK1CTSS
SCHEMBL4213404 0.84 RIPK1 (0.40) AKT1S1PR1GLSPDK1PDK2
SCHEMBL1831339 0.84 GLS (0.50) S1PR1GLSRIPK1HTR2CSLC6A4
SCHEMBL3353841 0.83 AKT1 (0.54) AKT1RIPK1HDAC3HDAC1HDAC2
SCHEMBL2522263 0.82 AKT1 (0.37) AKT1GLSRIPK1HDAC3HDAC1
SCHEMBL2526085 0.79 ALDH1A1 (0.39) AKT1GLSRIPK1HDAC3HDAC1
SCHEMBL2520668 0.78 SLC7A5 (0.39) AKT1GLSRIPK1HDAC3HDAC1
SCHEMBL6627245 0.77 MTNR1B (0.41) AKT1S1PR1PDK1PDK2PDK3
SCHEMBL8635430 0.77 AKT1 (0.44) AKT1GLSRIPK1HDAC3HDAC1
SCHEMBL16971619 0.76 ALDH1A1 (0.45) AKT1HDAC3HDAC1HDAC2NCOR2

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 2073/4885S1PR1 2814/4885GLS 680/4885

“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.