SCHEMBL8635430

SCHEMBL8635430

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.44
GRM2 Q14416 1/20 0.42
GLS O94925 2/20 0.41
RIPK1 Q13546 3/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC7A5 Q01650 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGES O14684 1/20 0.35
AOC3 Q16853 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 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
SCHEMBL7021352 0.87 GLS (0.53) AKT1GLSRIPK1HTR2CSLC6A4
SCHEMBL4398498 0.87 RIPK1 (0.53) AKT1GRM2RIPK1PTGESCTSB
SCHEMBL19153416 0.86 AKT1 (0.43) AKT1GRM2CYP4F2CYP4A11HDAC3
SCHEMBL7247305 0.84 GRM2 (0.43) AKT1GRM2GLSRIPK1HDAC3
SCHEMBL3819098 0.82 AKT1 (0.52) AKT1RIPK1HDAC3HDAC1HDAC2
SCHEMBL7594665 0.82 HDAC3 (0.44) AKT1GLSHDAC3HDAC1HDAC2
SCHEMBL171569 0.80 RIPK1 (0.50) AKT1RIPK1SLC7A5PTGESCTSB
SCHEMBL7385091 0.80 LOXL2 (0.55) CYP4F2CYP4A11SLC7A5
SCHEMBL1010216 0.80 MEP1A (0.50) GRM2SLC6A4PTGESCTSLCTSB
SCHEMBL4396244 0.80 GRM2 (0.41) AKT1GRM2GLSRIPK1HDAC3

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
US-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-19 US disclosed
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-01-31 US disclosed
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-18 US disclosed
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-18 US disclosed
WO-2017121969-A1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2017-07-20 WO disclosed
EP-0852583-A2 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1998-07-15 EP disclosed
WO-1997008190-A2 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1997-03-06 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 (3 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-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them TK1, AK1, PHKA1 AKT1 1212/4885GRM2 3650/4885GLS 1118/4885
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TK1, AK1, PHKA1 AKT1 1212/4885GRM2 3650/4885GLS 1118/4885
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AK1, TK1, PHKA1 AKT1 1154/4885GRM2 3854/4885GLS 1134/4885

“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.