SCHEMBL3528862

SCHEMBL3528862

C[Si](C)(C)OC(=O)CCCBr

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
GLA P06280 1/20 0.32
DGKA P23743 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TRPA1 O75762 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10739007 0.87 TSHR (0.50) TSHRGLADGKACYP1A2ALDH1A1
SCHEMBL134075 0.87 TSHR (0.43) TSHRDGKACYP1A2ALDH1A1LMNA
SCHEMBL16295140 0.85 DGKA (0.43) TSHRDGKAALDH1A1LMNA
SCHEMBL8463255 0.85 DGKA (0.43) TSHRDGKAALDH1A1LMNA
SCHEMBL8465959 0.85 DGKA (0.43) TSHRDGKAALDH1A1LMNA
SCHEMBL8463526 0.85 DGKA (0.43) TSHRDGKAALDH1A1LMNA
SCHEMBL4303758 0.82 TSHR (0.45) TSHRALDH1A1KDM4ELMNAKMT2A
SCHEMBL28196127 0.81 CES1 (0.46) TSHRDGKAALDH1A1LMNA
SCHEMBL4644791 0.81 CAMK2A (0.40) TSHRDGKACYP1A2KDM4E
SCHEMBL19858487 0.79 DGKA (0.54) TSHRDGKAALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732413-B2 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2010-06-08 US disclosed
US-7732413-B2 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2010-06-08 US disclosed
EP-1601669-B1 SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA SCHERING CORP (US) 2008-12-24 EP disclosed
US-20080200446-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2008-08-21 US disclosed
US-20080200446-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2008-08-21 US disclosed
US-7378518-B2 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2008-05-27 US disclosed
US-7378518-B2 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2008-05-27 US disclosed
US-20070155676-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2007-07-05 US disclosed
US-20070155676-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2007-07-05 US disclosed
US-7208486-B2 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2007-04-24 US disclosed
US-7208486-B2 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2007-04-24 US disclosed
CN-1756756-A Substituted azetidinone compounds, formulations and uses thereof for the treatment of hypercholesterolemia SCHERING CORP (US) 2006-04-05 CN disclosed
EP-1601669-A1 SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA SCHERING CORPORATION (US) 2005-12-07 EP disclosed
WO-2004081003-A1 SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLETEROLEMIA SCHERING CORPORATION (US) 2004-09-23 WO disclosed
US-20040180861-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION 2004-09-16 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 (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-20040180861-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof APOB, NPC1L1, CYP46A1 TSHR 3756/4885GLA 3042/4885DGKA 508/4885
US-20080200446-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof CYP46A1, NPC1L1, PCSK9 TSHR 4110/4885GLA 1415/4885DGKA 1343/4885
US-20070155676-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof APOB, NPC1L1, CYP46A1 TSHR 3756/4885GLA 3042/4885DGKA 508/4885

“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.